Nitrobenzene

Athanor · official

C₆H₅NO₂ · 123.11 g/mol

Also called oil of mirbane, nitrobenzol

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Drawn from its SMILES with RDKit

DangerToxic if swallowed · Toxic in contact with skin · Toxic if inhaled · Suspected of causing cancer · May damage fertility · Causes damage to organs through prolonged or repeated exposure · Harmful to aquatic life with long lasting effects

Names and identifiers

IUPAC name: nitrobenzene
Synonyms: oil of mirbane, nitrobenzol, Nitrobenzol
+ 37 more
Benzene, nitro-, Essence of mirbane, nitro-Benzene, Nitrobenzeen, Nitrobenzen, Mononitrobenzene, Essence of Myrbane, p-Nitrobenzene, RCRA waste number U169, NCI-C60082, DTXSID3020964, E57JCN6SSY, CHEBI:27798, NSC-9573, DTXCID30964, NSC9573, RefChem:6471, 202-716-0, NSC 9573, p-Nitrophenyl radical, BENZENE,NITRO, BENZENE-NO2, MFCD00007043, Nitrobenzene Standard, NCGC00091398-02, 1-nitrobenzene, Nitrobenzeen [Dutch], Nitrobenzen [Polish], Caswell No. 600, 3-nitrobenzene, 4-nitrobenzene, CAS-98-95-3, NBZ, CCRIS 2841, HSDB 104, EINECS 202-716-0, UNII-E57JCN6SSY
Molecular formula: C₆H₅NO₂
Empirical formula: C₆H₅NO₂
Molecular weight: 123.11 g/mol
Exact mass: 123.03203
CAS number: 98-95-3
PubChem CID: 7416
Canonical SMILES: C1=CC=C(C=C1)[N+](=O)[O-]
Isomeric SMILES: C1=CC=C(C=C1)[N+](=O)[O-]
InChI: InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H
InChIKey: LQNUZADURLCDLV-UHFFFAOYSA-N
Molfile

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

Physical properties

TemperaturePressureDensity

Appearance: Greenish-yellow crystals or yellow, oily liquid[6]
7 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– Nitrobenzene appears as a pale yellow to dark brown liquid. Flash point 190 °F. Very slightly soluble in water. Toxic by inhalation and by skin absorption. Combustion give toxic oxides of nitrogen. Density 10.0 lb /gal. [1] CAMEO Chemicals
– Liquid [2] EPA Chemical Data Reporting (CDR)
– PALE YELLOW OILY LIQUID WITH CHARACTERISTIC ODOUR. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– Yellow to dark brown, oily liquid with a pungent odor like paste shoe polish. [4] Occupational Safety and Health Administration (OSHA)
– Yellow, oily liquid with a pungent odor like paste shoe polish. [Note: A solid below 42 °F.] [5] The National Institute for Occupational Safety and Health (NIOSH)
–shown Greenish-yellow crystals or yellow, oily liquid [6] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 893
– Bright-yellow crystals or pale-yellow to colorless, oily liquid [6] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 11th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2004., p. 2655
Odor: Pungent odor like paste shoe polish[6]
Melting point: 5 °C[3]
5 values
5 of 5 sources agree on it (most common value).
Value As written Source
6 °C 42 °F (EPA, 1998) [1] CAMEO Chemicalscites U.S. Environmental Protection Agency. 1998. Extremely Hazardous Substances (EHS) Chemical Profiles and Emergency First Aid Guides. Washington, D.C.: U.S. Government Printing Office.
5 °Cshown 5 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
6 °C 42 °F [4] Occupational Safety and Health Administration (OSHA)
5.7 °C 5.7 °C [7] PAC Chemical Database, U.S. Department of Energy
6 °C 42 °F [5] The National Institute for Occupational Safety and Health (NIOSH)
Boiling point: 210.8 °C @760 [mmHg][7]
5 values
5 of 5 sources agree on it (most common value).
Value As written Source
210.8 °C 411.4 °F at 760 mmHg (EPA, 1998) [1] CAMEO Chemicalscites U.S. Environmental Protection Agency. 1998. Extremely Hazardous Substances (EHS) Chemical Profiles and Emergency First Aid Guides. Washington, D.C.: U.S. Government Printing Office.
211 °C 211 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
211 °C 411 °F [4] Occupational Safety and Health Administration (OSHA)
210.8 °Cshown 210.8 °C @760 [mm Hg] [7] PAC Chemical Database, U.S. Department of Energy
211 °C 411 °F [5] The National Institute for Occupational Safety and Health (NIOSH)
Density: Density: 1.199 g/cu cm at 25 °C/4 °C[6]
6 values
Only one source reports it.
Value As written Source
– 1.2037 at 68 °F (EPA, 1998) - Denser than water [1] CAMEO Chemicalscites U.S. Environmental Protection Agency. 1998. Extremely Hazardous Substances (EHS) Chemical Profiles and Emergency First Aid Guides. Washington, D.C.: U.S. Government Printing Office.
1.199 g/mLshown Density: 1.199 g/cu cm at 25 °C/4 °C [6] Hazardous Substances Data Bank (HSDB)cites Dugal M; Kirk-Othmer Encyclopedia of Chemical Technology. (2005). NY, NY: John Wiley & Sons; Nitrobenzene and Nitrotoluenes. Online Posting Date: October 14, 2005.
– Relative density (water = 1): 1.2 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– 1.20 [4] Occupational Safety and Health Administration (OSHA)
– 1.205 @ 15°C [7] PAC Chemical Database, U.S. Department of Energy
– 1.20 [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.
Solubility in water: Solubility in water, g/100ml: 0.2[3]
6 values
From ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative source here.
Value As written Source
– Insoluble (<1 mg/ml at 75 °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.
– Readily soluble in most organic solvents and is completely miscible with diethyl ether, benzene, and alcohol. [6] Hazardous Substances Data Bank (HSDB)cites Dugal M; Kirk-Othmer Encyclopedia of Chemical Technology. (2005). NY, NY: John Wiley & Sons; Nitrobenzene and Nitrotoluenes. Online Posting Date: October 14, 2005.
– Slightly soluble in water with a solublity of 0.19% at 20 °C and 0.8% at 80 °C [6] Hazardous Substances Data Bank (HSDB)cites Dugal M; Kirk-Othmer Encyclopedia of Chemical Technology. (2005). NY, NY: John Wiley & Sons; Nitrobenzene and Nitrotoluenes. Online Posting Date: October 14, 2005.
– In water, 2.09X10+3 mg/L at 25 °C [6] Hazardous Substances Data Bank (HSDB)cites Banerjee S et al; Environ Sci Technol 14: 1227-9 (1980)
–shown Solubility in water, g/100ml: 0.2 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– 0.2% [5] The National Institute for Occupational Safety and Health (NIOSH)
log P: 1.86[3]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source
– log Kow = 1.85 [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. 18
–shown 1.86 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
Vapor pressure: Vapor pressure: 1 mmHg at 44.4 °C[6]
4 values
2 of 4 sources agree on it (most common value).
Value As written Source
1 mmHg 1 mmHg at 111.92 °F (EPA, 1998) [1] CAMEO Chemicalscites U.S. Environmental Protection Agency. 1998. Extremely Hazardous Substances (EHS) Chemical Profiles and Emergency First Aid Guides. Washington, D.C.: U.S. Government Printing Office.
1 mmHgshown Vapor pressure: 1 mm Hg at 44.4 °C [6] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 11th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2004., p. 2655
0.15 mmHg Vapor pressure, Pa at 20 °C: 20 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
0.3 mmHg 0.3 mmHg at 77 °F [4] Occupational Safety and Health Administration (OSHA)
1 more value was reported but failed the checks (unreadable or out of range), so it is not shown.
Flash point: 88.0 °C (190.4 °F, EPA 1998)[1]
5 values
5 of 5 sources agree on it (most common value).
Value As written Source
88.0 °Cshown 190.4 °F (EPA, 1998) [1] CAMEO Chemicalscites U.S. Environmental Protection Agency. 1998. Extremely Hazardous Substances (EHS) Chemical Profiles and Emergency First Aid Guides. Washington, D.C.: U.S. Government Printing Office.
88 °C 190 °F (88 °C) (Closed cup) [6] Hazardous Substances Data Bank (HSDB)cites Fire Protection Guide to Hazardous Materials. 13 ed. Quincy, MA: National Fire Protection Association, 2002., p. 325-91
88 °C 88 °C c.c. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
88 °C 190 °F [4] Occupational Safety and Health Administration (OSHA)
88 °C 190 °F [5] The National Institute for Occupational Safety and Health (NIOSH)
Autoignition temperature: 480 °C[3]
3 values
Sources disagree; from ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative.
Value As written Source
496 °C 924 °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.
482 °C 900 °F (482 °C) [6] Hazardous Substances Data Bank (HSDB)cites Fire Protection Guide to Hazardous Materials. 13 ed. Quincy, MA: National Fire Protection Association, 2002., p. 325-91
480 °Cshown 480 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
–	Nitrobenzene appears as a pale yellow to dark brown liquid. Flash point 190 °F. Very slightly soluble in water. Toxic by inhalation and by skin absorption. Combustion give toxic oxides of nitrogen. Density 10.0 lb /gal.	[1] CAMEO Chemicals
–	Liquid	[2] EPA Chemical Data Reporting (CDR)
–	PALE YELLOW OILY LIQUID WITH CHARACTERISTIC ODOUR.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	Yellow to dark brown, oily liquid with a pungent odor like paste shoe polish.	[4] Occupational Safety and Health Administration (OSHA)
–	Yellow, oily liquid with a pungent odor like paste shoe polish. [Note: A solid below 42 °F.]	[5] The National Institute for Occupational Safety and Health (NIOSH)
–shown	Greenish-yellow crystals or yellow, oily liquid	[6] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 893
–	Bright-yellow crystals or pale-yellow to colorless, oily liquid	[6] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 11th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2004., p. 2655

Value	As written	Source
6 °C	42 °F (EPA, 1998)	[1] CAMEO Chemicalscites U.S. Environmental Protection Agency. 1998. Extremely Hazardous Substances (EHS) Chemical Profiles and Emergency First Aid Guides. Washington, D.C.: U.S. Government Printing Office.
5 °Cshown	5 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
6 °C	42 °F	[4] Occupational Safety and Health Administration (OSHA)
5.7 °C	5.7 °C	[7] PAC Chemical Database, U.S. Department of Energy
6 °C	42 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
210.8 °C	411.4 °F at 760 mmHg (EPA, 1998)	[1] CAMEO Chemicalscites U.S. Environmental Protection Agency. 1998. Extremely Hazardous Substances (EHS) Chemical Profiles and Emergency First Aid Guides. Washington, D.C.: U.S. Government Printing Office.
211 °C	211 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
211 °C	411 °F	[4] Occupational Safety and Health Administration (OSHA)
210.8 °Cshown	210.8 °C @760 [mm Hg]	[7] PAC Chemical Database, U.S. Department of Energy
211 °C	411 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	1.2037 at 68 °F (EPA, 1998) - Denser than water	[1] CAMEO Chemicalscites U.S. Environmental Protection Agency. 1998. Extremely Hazardous Substances (EHS) Chemical Profiles and Emergency First Aid Guides. Washington, D.C.: U.S. Government Printing Office.
1.199 g/mLshown	Density: 1.199 g/cu cm at 25 °C/4 °C	[6] Hazardous Substances Data Bank (HSDB)cites Dugal M; Kirk-Othmer Encyclopedia of Chemical Technology. (2005). NY, NY: John Wiley & Sons; Nitrobenzene and Nitrotoluenes. Online Posting Date: October 14, 2005.
–	Relative density (water = 1): 1.2	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	1.20	[4] Occupational Safety and Health Administration (OSHA)
–	1.205 @ 15°C	[7] PAC Chemical Database, U.S. Department of Energy
–	1.20	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	Insoluble (<1 mg/ml at 75 °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.
–	Readily soluble in most organic solvents and is completely miscible with diethyl ether, benzene, and alcohol.	[6] Hazardous Substances Data Bank (HSDB)cites Dugal M; Kirk-Othmer Encyclopedia of Chemical Technology. (2005). NY, NY: John Wiley & Sons; Nitrobenzene and Nitrotoluenes. Online Posting Date: October 14, 2005.
–	Slightly soluble in water with a solublity of 0.19% at 20 °C and 0.8% at 80 °C	[6] Hazardous Substances Data Bank (HSDB)cites Dugal M; Kirk-Othmer Encyclopedia of Chemical Technology. (2005). NY, NY: John Wiley & Sons; Nitrobenzene and Nitrotoluenes. Online Posting Date: October 14, 2005.
–	In water, 2.09X10+3 mg/L at 25 °C	[6] Hazardous Substances Data Bank (HSDB)cites Banerjee S et al; Environ Sci Technol 14: 1227-9 (1980)
–shown	Solubility in water, g/100ml: 0.2	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	0.2%	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	log Kow = 1.85	[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. 18
–shown	1.86	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
1 mmHg	1 mmHg at 111.92 °F (EPA, 1998)	[1] CAMEO Chemicalscites U.S. Environmental Protection Agency. 1998. Extremely Hazardous Substances (EHS) Chemical Profiles and Emergency First Aid Guides. Washington, D.C.: U.S. Government Printing Office.
1 mmHgshown	Vapor pressure: 1 mm Hg at 44.4 °C	[6] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 11th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2004., p. 2655
0.15 mmHg	Vapor pressure, Pa at 20 °C: 20	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
0.3 mmHg	0.3 mmHg at 77 °F	[4] Occupational Safety and Health Administration (OSHA)

Value	As written	Source
88.0 °Cshown	190.4 °F (EPA, 1998)	[1] CAMEO Chemicalscites U.S. Environmental Protection Agency. 1998. Extremely Hazardous Substances (EHS) Chemical Profiles and Emergency First Aid Guides. Washington, D.C.: U.S. Government Printing Office.
88 °C	190 °F (88 °C) (Closed cup)	[6] Hazardous Substances Data Bank (HSDB)cites Fire Protection Guide to Hazardous Materials. 13 ed. Quincy, MA: National Fire Protection Association, 2002., p. 325-91
88 °C	88 °C c.c.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
88 °C	190 °F	[4] Occupational Safety and Health Administration (OSHA)
88 °C	190 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
496 °C	924 °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.
482 °C	900 °F (482 °C)	[6] Hazardous Substances Data Bank (HSDB)cites Fire Protection Guide to Hazardous Materials. 13 ed. Quincy, MA: National Fire Protection Association, 2002., p. 325-91
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: 9
Rings: 1
Aromatic rings: 1
Fraction sp³ carbons (Fsp3): 0
H-bond donors: 0
H-bond acceptors: 2
Rotatable bonds: 1 computed here · PubChem 0
TPSA (Å²): 43.1 computed here · PubChem 45.8
Formal charge: 0
XLogP3: 1.9 PubChem
Complexity: 102 PubChem
Stereocenters: None
Double-bond geometry: None specified
Point group: C2v of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

C58.54%
H4.09%
N11.38%
O25.99%

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: 1.59 Crippen (Wildman and Crippen 1999)
log S (water solubility): -2.04 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 1.32 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 123.11
log P ≤ 5 (Crippen): 1.59
H-bond donors ≤ 5: 0
H-bond acceptors ≤ 10: 2

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].

Acute toxicity
Health hazard

NFPA 704[6]

H301Toxic if swallowed
H311Toxic in contact with skin
H331Toxic if inhaled
H351Suspected of causing cancer
H360FMay damage fertility
H372Causes damage to organs through prolonged or repeated exposure
H412Harmful to aquatic life with long lasting effects

Precautionary statements: P203, P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P318, P319, P321, P330, P361+P364, P403+P233, P405, P501

View all classifications (2)

[8] Regulation (EC) No 1272/2008 of the European Parliament and of the Council · DangerH301, H311, H331, H351, H360F, H372, H412
[9] European Chemicals Agency (ECHA) · 389 reports · DangerH301+H311+H331, H301, H311, H331, H336, H351, H360, H361, H372, H411, H412

Exposure limits

PEL-TWA (8-Hour Time Weighted Average): 1 ppm (5 mg/m³)[4]
PEL: TWA 1 ppm (5 mg/m3) [skin][5]
TLV: 1 ppm as TWA; (skin); A3 (confirmed animal carcinogen with unknown relevance to humans).[3]
TLV-TWA (Time Weighted Average): 1 ppm [1992][4]
IDLH: 200 ppm (NIOSH, 2024)[1]
IDLH: 200 ppm[6]

First aid

Warning: Effects may be delayed. Caution is advised. Prior alcohol consumption aggravates the effects of nitrobenzene poisoning. Note: Absorption of nitrobenzene through the skin is rapid. Signs and Symptoms of Acute Nitrobenzene Exposure: Signs and symptoms of acute exposure to nitrobenzene may be severe and include cyanosis (blue tint to the skin and mucous membranes), tachycardia (rapid heart rate), hypotension (low blood pressure), and cardiac arrhythmias. Respiratory depression and respiratory failure may also occur.[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 immediately - If this chemical contacts the skin, immediately wash the contaminated skin with soap and water.[5]
Fresh air, rest. Artificial respiration may be needed. Refer for medical attention.[3]

Storage

Separated from combustible substances, reducing agents, strong oxidants, strong acids and food and feedstuffs. Store in an area without drain or sewer access.[3]
Store in a cool, dry, well-ventilated, dark location. Separate from acids, bases, oxidizing materials, and metals.[6]
Precautions FOR "carcinogens": Storage site should be as close as practical to lab in which carcinogens are to be used, so that only small quantities required for ... Expt need to be carried. Carcinogens should be kept in only one section of cupboard, an explosion-proof refrigerator or freezer (depending on chemicophysical properties ...) that bears appropriate label. An inventory ... Should be kept, showing quantity of carcinogen & date it was acquired ... Facilities for dispensing ... Should be contiguous to storage area. (chemical Carcinogens)[6]

Incompatibilities

Explosive reaction with solid or concentrated alkalai + heat (eg, sodium hydroxide or potassium hydroxide), aluminum chloride + phenol (at 120 °C), aniline + glycerol + sulfuric acid, nitric + sulfuric acid + heat.[6]
Forms explosive mixtures with aluminum chloride, oxidants (eg, fluorodinitromethane, uranium perchlorate, tetranitromethane, sodium chlorate, nitric acid, nitric acid + water, peroxodisulfuric acid, dinitrogen tetraoxide), phosphorus pentachloride, potassium, sulfuric acid.[6]
Reacts violently with aniline + glycerin, N2O, AgClO4.[6]
A soln of phosphorus pentachloride in nitrobenzene is stable at 110 °C but begins to decomp with accelerating violence above 120 °C, with evolution of nitrous fumes.[6]

Safety data sheets on the supplier’s page: BOC Sciences, Alfa Chemistry, Sinfoo Biotech.

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.