Pyridine

Athanor · official

C₅H₅N · 79.1 g/mol

Also called azabenzene, azine

Rings Solvents

Open in Athanor

Drawn from its SMILES with RDKit

DangerHighly Flammable liquid and vapor · Harmful if swallowed · Harmful in contact with skin · Harmful if inhaled

Names and identifiers

IUPAC name: pyridine
Synonyms: azabenzene, azine, Azabenzene
+ 37 more
Azine, Pyridin, Piridina, Pirydyna, RCRA waste number U196, CP 32, NCI-C55301, FEMA No. 2966, FEMA Number 2966, DTXSID9021924, CHEBI:16227, NH9L3PP67S, AI3-01240, NSC-141574, NSC-406123, DTXCID101924, RefChem:53624, pyridine ion (1-), hydrogen, CHEBI:134360, 203-809-9, Pyridin [German], Pirydyna [Polish], Piridina [Italian], pyridine-ring, pyridine-, C5H5N, NSC 406123, Pyridine, super dry, MFCD00011732, Pyridine [UN1282] [Flammable liquid], PYRIDINE- D5, Caswell No. 717, CCRIS 2926, HSDB 118, Pyridine, ACS reagent, >=99.0%, Pyridine, ReagentPlus(R), >=99%, EINECS 203-809-9
Molecular formula: C₅H₅N
Empirical formula: C₅H₅N
Molecular weight: 79.1 g/mol
Exact mass: 79.04220
CAS number: 110-86-1
PubChem CID: 1049
Canonical SMILES: C1=CC=NC=C1
Isomeric SMILES: C1=CC=NC=C1
InChI: InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H
InChIKey: JUJWROOIHBZHMG-UHFFFAOYSA-N
Molfile

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

Physical properties

TemperaturePressureDensity

Appearance: Colorless to yellow liquid.[6]
6 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– Pyridine appears as a clear colorless to light yellow liquid with a penetrating nauseating odor. Vapors are heavier than air. Toxic by ingestion and inhalation. Combustion produces toxic oxides of nitrogen. [1] CAMEO Chemicals
– Liquid [2] EPA Chemical Data Reporting (CDR)
– COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– Colorless to yellow liquid with a nauseating, fish-like odor. [4] Occupational Safety and Health Administration (OSHA)
– Colorless to yellow liquid with a nauseating, fish-like odor. [5] The National Institute for Occupational Safety and Health (NIOSH)
–shown Colorless to yellow liquid. [6] Hazardous Substances Data Bank (HSDB)cites NIOSH. NIOSH Pocket Guide to Chemical Hazards. DHHS (NIOSH) Publication No. 97-140. Washington, D.C. U.S. Government Printing Office, 1997., p. 272
Odor: Burnt, sickening[6]
3 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– Sharp, nauseating [6] Hazardous Substances Data Bank (HSDB)cites U.S. Coast Guard, Department of Transportation. CHRIS - Hazardous Chemical Data. Volume II. Washington, D.C.: U.S. Government Printing Office, 1984-5.
–shown Burnt, sickening [6] Hazardous Substances Data Bank (HSDB)cites Ruth JH; Am Ind Hyg Assoc J 47: A-149 (1986)
– Nauseating fish-like odor. [6] Hazardous Substances Data Bank (HSDB)cites NIOSH. NIOSH Pocket Guide to Chemical Hazards. DHHS (NIOSH) Publication No. 97-140. Washington, D.C. U.S. Government Printing Office, 1997., p. 272
Melting point: -41.7 °C[7]
5 values
5 of 5 sources agree on it (most common value).
Value As written Source
−42 °C -44 °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.
−42 °C -42 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
−42 °C -44 °F [4] Occupational Safety and Health Administration (OSHA)
−41.7 °Cshown -41.7 °C [7] PAC Chemical Database, U.S. Department of Energy
−42 °C -44 °F [5] The National Institute for Occupational Safety and Health (NIOSH)
Boiling point: 115.23 °C @760 [mmHg][7]
5 values
5 of 5 sources agree on it (most common value).
Value As written Source
115 °C 239 °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.
115 °C 115 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
116 °C 240 °F [4] Occupational Safety and Health Administration (OSHA)
115.2 °Cshown 115.23 °C @760 [mm Hg] [7] PAC Chemical Database, U.S. Department of Energy
116 °C 240 °F [5] The National Institute for Occupational Safety and Health (NIOSH)
Density: 0.9827 @ 20°C[7]
5 values
5 of 5 sources agree on it (most common value).
Value As written Source
– 0.983 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): 0.98 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– 0.983 at 68 °F [4] Occupational Safety and Health Administration (OSHA)
–shown 0.9827 @ 20°C [7] PAC Chemical Database, U.S. Department of Energy
– 0.98 [5] The National Institute for Occupational Safety and Health (NIOSH)
Solubility in water: Solubility in water: freely soluble[3]
4 values
From ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative source here.
Value As written Source
– greater than or equal to 100 mg/mL at 70.7 °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.
– Miscible with water @ 20 °C [6] Hazardous Substances Data Bank (HSDB)cites Kirk-Othmer Encyclopedia of Chemical Technology. 3rd ed., Volumes 1-26. New York, NY: John Wiley and Sons, 1978-1984., p. V19 (1982) 454-83
–shown Solubility in water: freely soluble [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– Miscible [5] The National Institute for Occupational Safety and Health (NIOSH)
log P: 0.65[3]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source
– log Kow = 0.65 [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. 12
–shown 0.65 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
pKa: pKa = 5.23[6]
Vapor pressure: 20.8 mmHg @ 25 °C[6]
5 values
2 of 4 sources agree on it (most common value).
Value As written Source
18 mmHg 18 mmHg at 68 °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 77 °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.
20.8 mmHgshown 20.8 mm Hg @ 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.
15 mmHg Vapor pressure, kPa at 20 °C: 2.0 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
20.8 mmHg 20.8 [mm Hg] @25 °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: 20 °C c.c.[3]
6 values
5 of 5 sources agree on it (most common value).
Value As written Source
20 °C 68 °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.
20 °C 68 °F (CLOSED CUP) [6] Hazardous Substances Data Bank (HSDB)cites Fire Protection Guide to Hazardous Materials. 12 ed. Quincy, MA: National Fire Protection Association, 1997., p. 325-83
20 °C 20 °C (closed cup) [6] Hazardous Substances Data Bank (HSDB)cites Snyder, R. (ed.). Ethel Browning's Toxicity and Metabolism of Industrial Solvents. 2nd ed. Volume II: Nitrogen and Phosphorus Solvents. Amsterdam-New York-Oxford: Elsevier, 1990., p. 259
20 °Cshown 20 °C c.c. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
20 °C 68 °F [4] Occupational Safety and Health Administration (OSHA)
20 °C 68 °F [5] The National Institute for Occupational Safety and Health (NIOSH)
Autoignition temperature: 482 °C[3]
3 values
3 of 3 sources agree on it (most common value).
Value As written Source
482 °C 900 °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 482 °C (900 °F) [6] Hazardous Substances Data Bank (HSDB)cites Fire Protection Guide to Hazardous Materials. 12 ed. Quincy, MA: National Fire Protection Association, 1997., p. 325-83
482 °Cshown 482 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
–	Pyridine appears as a clear colorless to light yellow liquid with a penetrating nauseating odor. Vapors are heavier than air. Toxic by ingestion and inhalation. Combustion produces toxic oxides of nitrogen.	[1] CAMEO Chemicals
–	Liquid	[2] EPA Chemical Data Reporting (CDR)
–	COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	Colorless to yellow liquid with a nauseating, fish-like odor.	[4] Occupational Safety and Health Administration (OSHA)
–	Colorless to yellow liquid with a nauseating, fish-like odor.	[5] The National Institute for Occupational Safety and Health (NIOSH)
–shown	Colorless to yellow liquid.	[6] Hazardous Substances Data Bank (HSDB)cites NIOSH. NIOSH Pocket Guide to Chemical Hazards. DHHS (NIOSH) Publication No. 97-140. Washington, D.C. U.S. Government Printing Office, 1997., p. 272

Value	As written	Source
–	Sharp, nauseating	[6] Hazardous Substances Data Bank (HSDB)cites U.S. Coast Guard, Department of Transportation. CHRIS - Hazardous Chemical Data. Volume II. Washington, D.C.: U.S. Government Printing Office, 1984-5.
–shown	Burnt, sickening	[6] Hazardous Substances Data Bank (HSDB)cites Ruth JH; Am Ind Hyg Assoc J 47: A-149 (1986)
–	Nauseating fish-like odor.	[6] Hazardous Substances Data Bank (HSDB)cites NIOSH. NIOSH Pocket Guide to Chemical Hazards. DHHS (NIOSH) Publication No. 97-140. Washington, D.C. U.S. Government Printing Office, 1997., p. 272

Value	As written	Source
−42 °C	-44 °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.
−42 °C	-42 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
−42 °C	-44 °F	[4] Occupational Safety and Health Administration (OSHA)
−41.7 °Cshown	-41.7 °C	[7] PAC Chemical Database, U.S. Department of Energy
−42 °C	-44 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
115 °C	239 °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.
115 °C	115 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
116 °C	240 °F	[4] Occupational Safety and Health Administration (OSHA)
115.2 °Cshown	115.23 °C @760 [mm Hg]	[7] PAC Chemical Database, U.S. Department of Energy
116 °C	240 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	0.983 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): 0.98	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	0.983 at 68 °F	[4] Occupational Safety and Health Administration (OSHA)
–shown	0.9827 @ 20°C	[7] PAC Chemical Database, U.S. Department of Energy
–	0.98	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	greater than or equal to 100 mg/mL at 70.7 °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.
–	Miscible with water @ 20 °C	[6] Hazardous Substances Data Bank (HSDB)cites Kirk-Othmer Encyclopedia of Chemical Technology. 3rd ed., Volumes 1-26. New York, NY: John Wiley and Sons, 1978-1984., p. V19 (1982) 454-83
–shown	Solubility in water: freely soluble	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	Miscible	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	log Kow = 0.65	[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. 12
–shown	0.65	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
18 mmHg	18 mmHg at 68 °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 77 °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.
20.8 mmHgshown	20.8 mm Hg @ 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.
15 mmHg	Vapor pressure, kPa at 20 °C: 2.0	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
20.8 mmHg	20.8 [mm Hg] @25 °C	[7] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
20 °C	68 °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.
20 °C	68 °F (CLOSED CUP)	[6] Hazardous Substances Data Bank (HSDB)cites Fire Protection Guide to Hazardous Materials. 12 ed. Quincy, MA: National Fire Protection Association, 1997., p. 325-83
20 °C	20 °C (closed cup)	[6] Hazardous Substances Data Bank (HSDB)cites Snyder, R. (ed.). Ethel Browning's Toxicity and Metabolism of Industrial Solvents. 2nd ed. Volume II: Nitrogen and Phosphorus Solvents. Amsterdam-New York-Oxford: Elsevier, 1990., p. 259
20 °Cshown	20 °C c.c.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
20 °C	68 °F	[4] Occupational Safety and Health Administration (OSHA)
20 °C	68 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
482 °C	900 °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	482 °C (900 °F)	[6] Hazardous Substances Data Bank (HSDB)cites Fire Protection Guide to Hazardous Materials. 12 ed. Quincy, MA: National Fire Protection Association, 1997., p. 325-83
482 °Cshown	482 °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: 6
Rings: 1
Aromatic rings: 1
Fraction sp³ carbons (Fsp3): 0
H-bond donors: 0
H-bond acceptors: 1
Rotatable bonds: 0
TPSA (Å²): 12.9
Formal charge: 0
XLogP3: 0.7 PubChem
Complexity: 30 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

C75.92%
H6.37%
N17.71%

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: 1.08 Crippen (Wildman and Crippen 1999)
log S (water solubility): -1.75 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 1.37 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 79.1
log P ≤ 5 (Crippen): 1.08
H-bond donors ≤ 5: 0
H-bond acceptors ≤ 10: 1

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

NFPA 704[6]

H225Highly Flammable liquid and vapor
H302Harmful if swallowed
H312Harmful in contact with skin
H332Harmful if inhaled

Precautionary statements: P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P362+P364, P370+P378, P403+P235, P501

View all classifications (3)

[8] Regulation (EC) No 1272/2008 of the European Parliament and of the Council · DangerH225, H302, H312, H332
[9] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for 0.1% (3 of 2399) of reports.
[9] European Chemicals Agency (ECHA) · 2,399 reports · DangerH225, H302, H312, H315, H319, H332

Exposure limits

PEL-TWA (8-Hour Time Weighted Average): 5 ppm (15 mg/m³)[4]
PEL: TWA 5 ppm (15 mg/m3)[5]
TLV: 1 ppm as TWA; A3 (confirmed animal carcinogen with unknown relevance to humans).[3]
TLV-TWA (Time Weighted Average): 1 ppm [1992][4]
IDLH: 1000 ppm (NIOSH, 2024)[1]
IDLH: 1000 ppm[6]

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: Water flush immediately - If this chemical contacts the skin, immediately flush the contaminated skin with water. If this chemical penetrates the clothing, immediately remove the clothing and flush the skin with water.[5]
Fresh air, rest. Artificial respiration may be needed. Refer for medical attention.[3]

Storage

Store only in original container. Fireproof. Separated from strong oxidants and strong acids. Cool. Dry. Well closed. Store in an area without drain or sewer access.[3]
Outside OR detached storage IS preferable. Isolate FROM powerful oxidizing materials AND acids.[6]
Mixtures with formamide + iodine + sulfur trioxide are storage hazards, releasing carbon dioxide & sulfuric acid.[6]

Incompatibilities

Pyridine reacts violently WITH chlorosulfonic ACID, chromic ACID, maleic anhydride, nitric ACID, fuming sulfuric ACID, perchromates, beta-propiolactone, silver perchlorate, & sulfuric ACID.[6]
Incompatible with strong oxidizers.[6]
... Contact with strong acids will cause violent spattering.[6]
Dangerous ... WHEN exposed TO HEAT, flame OR oxidizers.[6]

Safety data sheets on the supplier’s page: Thermo Fisher Scientific, CAPOT, Sigma-Aldrich.

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.