Toluene

Athanor · official

C₇H₈ · 92.14 g/mol

Also called methylbenzene, toluol, phenylmethane

Rings Solvents

Open in Athanor

Drawn from its SMILES with RDKit

DangerHighly Flammable liquid and vapor · May be fatal if swallowed and enters airways · Causes skin irritation · May cause drowsiness or dizziness

Names and identifiers

IUPAC name: toluene
Synonyms: methylbenzene, toluol, phenylmethane
+ 36 more
Phenylmethane, methacide, methylbenzol, antisal 1a, Benzene, methyl-, Toluen, tolu-sol, monomethyl benzene, Methane, phenyl-, Tolueen, Toluolo, phenyl methane, 1-Methylbenzene, RCRA waste number U220, Tolueno, methyl benzene, Caswell No. 859, NCI-C07272, DTXSID7021360, CP 25, NSC 406333, EPA Pesticide Chemical Code 080601, NSC-406333, 3FPU23BG52, DTXCID501360, CHEBI:17578, Methyl benzol, RefChem:6695, CHEBI:38975, 203-625-9, 946-198-0, methyl-Benzene, p-toluene, 4-methylbenzene, Benzene, methyl, UN 1294
Molecular formula: C₇H₈
Empirical formula: C₇H₈
Molecular weight: 92.14 g/mol
Exact mass: 92.06260
CAS number: 108-88-3
PubChem CID: 1140
Canonical SMILES: CC1=CC=CC=C1
Isomeric SMILES: CC1=CC=CC=C1
InChI: InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
InChIKey: YXFVVABEGXRONW-UHFFFAOYSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Physical properties

TemperaturePressureDensity

Appearance: Colorless liquid[6]
6 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– Toluene appears as a clear colorless liquid with a characteristic aromatic odor. Flash point 40 °F. Less dense than water (7.2 lb / gal) and insoluble in water. Hence floats on water. Vapors heavier than air. May be toxic by inhalation, ingestion or skin contact. Used in aviation and automotive fuels, as a solvent, and to make other chemicals. [1] CAMEO Chemicals
– CBI; Gas Vapor; Dry Powder; Other Solid; Liquid; Gas Vapor; Liquid; Liquid; Other Solid [2] EPA Chemical Data Reporting (CDR)
– COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– Colorless liquid with a sweet, pungent, benzene-like odor. [4] Occupational Safety and Health Administration (OSHA)
– Colorless liquid with a sweet, pungent, benzene-like odor. [5] The National Institute for Occupational Safety and Health (NIOSH)
–shown Colorless liquid [6] Hazardous Substances Data Bank (HSDB)cites NIOSH. NIOSH Pocket Guide to Chemical Hazards. Department of Health & Human Services, Centers for Disease Control & Prevention. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2010-168 (2010). Available from: https://www.cdc.gov/niosh/npg
Odor: Sweet, pungent, benzene-like odor[6]
Melting point: -94.95 °C[7]
5 values
5 of 5 sources agree on it (most common value).
Value As written Source
−95 °C -139 °F (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
−95 °C -95 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
−95 °C -139 °F [4] Occupational Safety and Health Administration (OSHA)
−95.0 °Cshown -94.95 °C [7] PAC Chemical Database, U.S. Department of Energy
−95 °C -139 °F [5] The National Institute for Occupational Safety and Health (NIOSH)
Boiling point: 110.63 °C @760 [mmHg][7]
5 values
5 of 5 sources agree on it (most common value).
Value As written Source
110.6 °C 231.1 °F at 760 mmHg (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
111 °C 111 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
111 °C 232 °F [4] Occupational Safety and Health Administration (OSHA)
110.6 °Cshown 110.63 °C @760 [mm Hg] [7] PAC Chemical Database, U.S. Department of Energy
111 °C 232 °F [5] The National Institute for Occupational Safety and Health (NIOSH)
Density: 0.8623 @25 °C[7]
5 values
5 of 5 sources agree on it (most common value).
Value As written Source
– 0.867 at 68 °F (USCG, 1999) - Less dense than water [1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
– Relative density (water = 1): 0.87 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– 0.87 [4] Occupational Safety and Health Administration (OSHA)
–shown 0.8623 @25 °C [7] PAC Chemical Database, U.S. Department of Energy
– 0.87 [5] The National Institute for Occupational Safety and Health (NIOSH)
Solubility in water: Solubility in water: none[3]
5 values
From ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative source here.
Value As written Source
– less than 1 mg/mL at 64 °F (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
– In water, 526 mg/L at 25 °C [6] Hazardous Substances Data Bank (HSDB)cites Sanemasa I et al; Bull Chem Soc Japan 55: 1054-62 (1982)
– Soluble in ethanol, benzene, diethyl ether, acetone, chloroform, glacial acetic acid and carbon disulfide [6] Hazardous Substances Data Bank (HSDB)cites IARC. Monographs on the Evaluation of the Carcinogenic Risk of Chemicals to Humans. Geneva: World Health Organization, International Agency for Research on Cancer, 1972-PRESENT. (Multivolume work).
–shown Solubility in water: none [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– (74 °F): 0.07% [5] The National Institute for Occupational Safety and Health (NIOSH)
log P: 2.69[3]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source
– log Kow = 2.73 [6] Hazardous Substances Data Bank (HSDB)cites Hansch, C., Leo, A., D. Hoekman. Exploring QSAR - Hydrophobic, Electronic, and Steric Constants. Washington, DC: American Chemical Society., 1995., p. 31
–shown 2.69 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
Vapor pressure: 28.4 mmHg at 25 °C[6]
6 values
2 of 4 sources agree on it (most common value).
Value As written Source
10 mmHg 10 mmHg at 43.5 °F [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
20 mmHg 20 mmHg at 65.1 °F [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
40 mmHg 40 mmHg at 89.2 °F (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
28.4 mmHgshown 28.4 mm Hg at 25 °C [6] Hazardous Substances Data Bank (HSDB)cites Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
29 mmHg Vapor pressure, kPa at 25 °C: 3.8 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
7.5 mmHg 7.5 [mm Hg] @1.5 °C [7] PAC Chemical Database, U.S. Department of Energy
2 more values were reported but failed the checks (unreadable or out of range), so they are not shown.
Flash point: 4 °C c.c.[3]
6 values
5 of 5 sources agree on it (most common value).
Value As written Source
4 °C 40 °F (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
4.0 °C 4.0 °C (39.2 °F) - closed cup [6] Hazardous Substances Data Bank (HSDB)cites Sigma-Aldrich; Safety Data Sheet for Toluene. Product Number: 244511, Version 5.7 (Revision Date 12/10/2015). Available from, as of January 28, 2016: https://www.sigmaaldrich.com/safety-center.html
4 °C 40 °F (4 °C) (Closed cup) [6] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-108
4 °Cshown 4 °C c.c. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
4 °C 40 °F [4] Occupational Safety and Health Administration (OSHA)
4 °C 40 °F [5] The National Institute for Occupational Safety and Health (NIOSH)
1 more value was reported but failed the checks (unreadable or out of range), so it is not shown.
Autoignition temperature: 480 °C[3]
3 values
3 of 3 sources agree on it (most common value).
Value As written Source
480 °C 896 °F (USCG, 1999) [1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
480 °C 896 °F (480 °C) [6] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 49-144
480 °Cshown 480 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
Viscosity: Reported, but no value passed the checks.
The value and why
0.68 mm²/s at 20 °C (could not be read; source [3])

Value	As written	Source
–	Toluene appears as a clear colorless liquid with a characteristic aromatic odor. Flash point 40 °F. Less dense than water (7.2 lb / gal) and insoluble in water. Hence floats on water. Vapors heavier than air. May be toxic by inhalation, ingestion or skin contact. Used in aviation and automotive fuels, as a solvent, and to make other chemicals.	[1] CAMEO Chemicals
–	CBI; Gas Vapor; Dry Powder; Other Solid; Liquid; Gas Vapor; Liquid; Liquid; Other Solid	[2] EPA Chemical Data Reporting (CDR)
–	COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	Colorless liquid with a sweet, pungent, benzene-like odor.	[4] Occupational Safety and Health Administration (OSHA)
–	Colorless liquid with a sweet, pungent, benzene-like odor.	[5] The National Institute for Occupational Safety and Health (NIOSH)
–shown	Colorless liquid	[6] Hazardous Substances Data Bank (HSDB)cites NIOSH. NIOSH Pocket Guide to Chemical Hazards. Department of Health & Human Services, Centers for Disease Control & Prevention. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2010-168 (2010). Available from: https://www.cdc.gov/niosh/npg

Value	As written	Source
−95 °C	-139 °F (NTP, 1992)	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
−95 °C	-95 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
−95 °C	-139 °F	[4] Occupational Safety and Health Administration (OSHA)
−95.0 °Cshown	-94.95 °C	[7] PAC Chemical Database, U.S. Department of Energy
−95 °C	-139 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
110.6 °C	231.1 °F at 760 mmHg (NTP, 1992)	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
111 °C	111 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
111 °C	232 °F	[4] Occupational Safety and Health Administration (OSHA)
110.6 °Cshown	110.63 °C @760 [mm Hg]	[7] PAC Chemical Database, U.S. Department of Energy
111 °C	232 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	0.867 at 68 °F (USCG, 1999) - Less dense than water	[1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
–	Relative density (water = 1): 0.87	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	0.87	[4] Occupational Safety and Health Administration (OSHA)
–shown	0.8623 @25 °C	[7] PAC Chemical Database, U.S. Department of Energy
–	0.87	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	less than 1 mg/mL at 64 °F (NTP, 1992)	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
–	In water, 526 mg/L at 25 °C	[6] Hazardous Substances Data Bank (HSDB)cites Sanemasa I et al; Bull Chem Soc Japan 55: 1054-62 (1982)
–	Soluble in ethanol, benzene, diethyl ether, acetone, chloroform, glacial acetic acid and carbon disulfide	[6] Hazardous Substances Data Bank (HSDB)cites IARC. Monographs on the Evaluation of the Carcinogenic Risk of Chemicals to Humans. Geneva: World Health Organization, International Agency for Research on Cancer, 1972-PRESENT. (Multivolume work).
–shown	Solubility in water: none	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	(74 °F): 0.07%	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	log Kow = 2.73	[6] Hazardous Substances Data Bank (HSDB)cites Hansch, C., Leo, A., D. Hoekman. Exploring QSAR - Hydrophobic, Electronic, and Steric Constants. Washington, DC: American Chemical Society., 1995., p. 31
–shown	2.69	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
10 mmHg	10 mmHg at 43.5 °F	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
20 mmHg	20 mmHg at 65.1 °F	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
40 mmHg	40 mmHg at 89.2 °F (NTP, 1992)	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
28.4 mmHgshown	28.4 mm Hg at 25 °C	[6] Hazardous Substances Data Bank (HSDB)cites Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
29 mmHg	Vapor pressure, kPa at 25 °C: 3.8	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
7.5 mmHg	7.5 [mm Hg] @1.5 °C	[7] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
4 °C	40 °F (NTP, 1992)	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
4.0 °C	4.0 °C (39.2 °F) - closed cup	[6] Hazardous Substances Data Bank (HSDB)cites Sigma-Aldrich; Safety Data Sheet for Toluene. Product Number: 244511, Version 5.7 (Revision Date 12/10/2015). Available from, as of January 28, 2016: https://www.sigmaaldrich.com/safety-center.html
4 °C	40 °F (4 °C) (Closed cup)	[6] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-108
4 °Cshown	4 °C c.c.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
4 °C	40 °F	[4] Occupational Safety and Health Administration (OSHA)
4 °C	40 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
480 °C	896 °F (USCG, 1999)	[1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
480 °C	896 °F (480 °C)	[6] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 49-144
480 °Cshown	480 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Each value as its source reports it, with the source's number after it (listed under References). Where several sources report a property, the row shows the value most of them agree on, the rule the app uses; open the values to see every one.

Calculated

Heavy atoms: 7
Rings: 1
Aromatic rings: 1
Fraction sp³ carbons (Fsp3): 0.14
H-bond donors: 0
H-bond acceptors: 0
Rotatable bonds: 0
TPSA (Å²): 0
Formal charge: 0
XLogP3: 2.7 PubChem
Complexity: 42 PubChem
Stereocenters: None
Double-bond geometry: None specified
Point group: Cs of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

C91.25%
H8.75%

Isotope pattern

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P: 2 Crippen (Wildman and Crippen 1999)
log S (water solubility): -2.3 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 1 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 92.14
log P ≤ 5 (Crippen): 2
H-bond donors ≤ 5: 0
H-bond acceptors ≤ 10: 0

Passes all four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

Danger

Harmonized EU classification (CLP Annex VI). Source [8].

Flammable
Harmful or irritant
Health hazard

NFPA 704[6]

H225Highly Flammable liquid and vapor
H304May be fatal if swallowed and enters airways
H315Causes skin irritation
H336May cause drowsiness or dizziness

Precautionary statements: P203, P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P318, P319, P321, P331, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

View all classifications (5)

[8] Regulation (EC) No 1272/2008 of the European Parliament and of the Council · DangerH225, H304, H315, H336
[9] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for < 0.1% (8 of 9036) of reports.
[9] European Chemicals Agency (ECHA) · 9,036 reports · DangerH225, H304, H315, H336, H361, H373, H412
[9] European Chemicals Agency (ECHA) · DangerH225, H304, H315, H336, H361, H373
[6] Hazardous Substances Data Bank (HSDB) · DangerH225, H304, H315, H336, H361, H373, H401

Exposure limits

PEL-TWA (8-Hour Time Weighted Average): 200 ppm[4]
PEL-C (Ceiling): 300 ppm; 500 ppm (Peak) [10 min maximum in an 8 hr shift][4]
PEL: TWA 200 ppm C 300 ppm 500 ppm (10-minute maximum peak) See Appendix G[5]
REL-TWA (Time Weighted Average): 100 ppm (375 mg/m³)[4]
REL-STEL (Short Term Exposure Limit): 150 ppm (560 mg/m³)[4]
REL: TWA 100 ppm (375 mg/m3) ST 150 ppm (560 mg/m3)[5]

First aid

Eyes: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. Immediately transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. Skin: Immediately flood affected skin with water while removing and isolating all contaminated clothing.[1]
General First Aid: · Call 911 or emergency medical service. · Ensure that medical personnel are aware of the material(s) involved, take precautions to protect themselves and avoid contamination. · Move victim to fresh air if it can be done safely. · Administer oxygen if breathing is difficult. · If victim is not breathing: -- DO NOT perform mouth-to-mouth resuscitation; the victim may have ingested or inhaled the substance. -- If equipped and pulse detected, wash face and mouth, then give artificial respiration using a proper respiratory medical device (bag-valve mask, pocket mask equipped…[10]
(General first aid procedures) Eye: Irrigate immediately - If this chemical contacts the eyes, immediately wash (irrigate) the eyes with large amounts of water, occasionally lifting the lower and upper lids. Get medical attention immediately. Skin: Soap wash promptly - If this chemical contacts the skin, promptly wash the contaminated skin with soap and water. If this chemical penetrates the clothing, promptly remove the clothing and wash the skin with soap and water.[5]
Fresh air, rest. Refer immediately for medical attention.[3]

Storage

Well closed. Fireproof. Separated from strong oxidants. Store in an area without drain or sewer access. Store only in original container.[3]
Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. Handle and store under inert gas.[6]
Store in a flammable liquid storage area or approved cabinet away from ignition sources and corrosive and reactive materials. ... Before entering confined space where this chemical may be present, check to make sure that an explosive concentration does not exist. Toluene must be stored to avoid contact with strong oxidizers (such as chlorine, bromine, and fluorine), since violent reactions occur. Protect storage containers from physical damage.[6]
Outside or detached storage is preferred. Inside storage should be in a standard flammable liquids storage warehouse, room, or cabinet. Separate from oxidizing materials.[6]

Incompatibilities

Incompatible materials: Strong oxidizing agents[6]
If conditions are not properly controlled, the reaction of toluene with nitric acid is extremely violent especially in the presence of sulfuric acid, which takes up the water formed. Part of the hazard is from the formation of nitrocresols, which react and decompose violently on further nitration.[6]
A mixture of (nitrogen tetroxide and toluene) caused an explosion at an industrial plant in Zschornewitz.[6]
Shock-sensitive solvated salts are ... Formed with silver perchlorate and ... Toluene.[6]

Safety data sheets on the supplier’s page: abcr GmbH, LGC Standards, Thermo Fisher Scientific.

Always read the supplier’s safety data sheet before working with it.

Spectra

Experimental spectra held by these sources; each link opens the source's own record.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

[1]CAMEO Chemicals · Public domain (NOAA) · via PubChem · retrieved 2026-10-14
[2]EPA Chemical Data Reporting (CDR) · Public domain (US EPA) · via PubChem · retrieved 2026-10-14
[3]ILO-WHO International Chemical Safety Cards (ICSCs) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
[4]Occupational Safety and Health Administration (OSHA) · Public domain (US DOL) · via PubChem · retrieved 2026-10-14
[5]The National Institute for Occupational Safety and Health (NIOSH) · Public domain (US CDC) · via PubChem · retrieved 2026-10-14
[6]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
[7]PAC Chemical Database, U.S. Department of Energy · Public domain (US DOE) · via PubChem · retrieved 2026-10-14
[8]Regulation (EC) No 1272/2008 of the European Parliament and of the Council · EU reuse policy, CC BY 4.0 · via PubChem · retrieved 2026-10-14
[9]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
[10]Emergency Response Guidebook (ERG) · Public domain (US DOT) · via PubChem · retrieved 2026-10-14
[11]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
[12]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
[13]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
[14]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
[15]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
[16]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
·Literature on PubChem

Data last updated 2026-10-14.