Benzoyl chloride

Athanor · official

C₇H₅ClO · 140.56 g/mol

Also called BzCl

Reagents

Open in Athanor

Drawn from its SMILES with RDKit

DangerHarmful if swallowed · Harmful in contact with skin · Causes severe skin burns and eye damage · May cause an allergic skin reaction · Harmful if inhaled

Names and identifiers

IUPAC name: benzoyl chloride
Synonyms: BzCl, Benzenecarbonyl chloride, Benzoic acid, chloride
+ 35 more
alpha-Chlorobenzaldehyde, benzoic acid chloride, DTXSID9026631, Benzaldehyde, alpha-chloro-, VTY8706W36, DTXCID106631, CHEBI:82275, RefChem:5591, 202-710-8, Benzoylchloride, a-Chlorobenzaldehyde, BenzoylChloride-13C7, Benzoyl Chloride-13C6, MFCD00000653, Benzaldehyde, .alpha.-chloro-, benzoyl-carbonyl-13c chloride, benzoylchlorid, CCRIS 802, Benzoyl chloride, ReagentPlus(R), >=99%, HSDB 383, EINECS 202-710-8, UN1736, BRN 0471389, benzoyl chlorid, benzoyl choride, bezoyl chloride, UNII-VTY8706W36, benzoic chloride, benzoyl chloride-, PhCOCl, Bz-Cl, Benzoyl chloride [UN1736] [Corrosive], .alpha.-Chlorobenzaldehyde, Benzaldehyde, |A-chloro-, EC 202-710-8
Molecular formula: C₇H₅ClO
Empirical formula: C₇H₅ClO
Molecular weight: 140.56 g/mol
Exact mass: 140.00289
CAS number: 98-88-4
PubChem CID: 7412
Canonical SMILES: C1=CC=C(C=C1)C(=O)Cl
Isomeric SMILES: C1=CC=C(C=C1)C(=O)Cl
InChI: InChI=1S/C7H5ClO/c8-7(9)6-4-2-1-3-5-6/h1-5H
InChIKey: PASDCCFISLVPSO-UHFFFAOYSA-N
Molfile

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

Physical properties

TemperaturePressureDensity

Appearance: Colorless, fuming liquid[5]
7 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– Benzoyl chloride appears as a colorless fuming liquid with a pungent odor. Flash point 162 °F. Lachrymator, irritating to skin and eyes. Corrosive to metals and tissue. Density 10.2 lb / gal. Used in medicine and in the manufacture of other chemicals. [1] CAMEO Chemicals
– CBI; Liquid [2] EPA Chemical Data Reporting (CDR)
– FUMING COLOURLESS LIQUID WITH PUNGENT ODOUR. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– A colorless fuming liquid with a pungent odor. [4] Occupational Safety and Health Administration (OSHA)
– Transparent, colorless liquid [5] Hazardous Substances Data Bank (HSDB)cites Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 157
–shown Colorless, fuming liquid [5] Hazardous Substances Data Bank (HSDB)cites NOAA; CAMEO Chemicals. Database of Hazardous Materials. Benzoyl chloride (98-88-4). Natl Ocean Atmos Admin, Off Resp Rest; NOAA Ocean Serv. Available from, as of Oct 20, 2017: https://cameochemicals.noaa.gov/
– Colorless to slightly yellow liquid [5] 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: Fuming pungent[5]
2 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
–shown Fuming pungent [5] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 12th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2012., p. V2: 492
– Pungent, aromatic [5] 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
Melting point: -1.0 °C (30.2 °F, NTP 1992)[1]
4 values
4 of 4 sources agree on it (most common value).
Value As written Source
−1.0 °Cshown 30.2 °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.
−1 °C -1 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
−1.0 °C 30.2 °F [4] Occupational Safety and Health Administration (OSHA)
−0.5 °C -0.5 °C [6] PAC Chemical Database, U.S. Department of Energy
Boiling point: 197.2 °C[3]
4 values
4 of 4 sources agree on it (most common value).
Value As written Source
197 °C 387 °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.
197.2 °Cshown 197.2 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
197 °C 387 °F [4] Occupational Safety and Health Administration (OSHA)
197 °C 197 °C @760 [mm Hg] [6] PAC Chemical Database, U.S. Department of Energy
Density: 1.211 at 25 °C (77 °F) (USCG, 1999) - Denser than water[1]
4 values
4 of 4 sources agree on it (most common value).
Value As written Source
–shown 1.211 at 77 °F (USCG, 1999) - Denser 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): 1.21 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– 1.211 [4] Occupational Safety and Health Administration (OSHA)
– 1.22 @ 15°C [6] PAC Chemical Database, U.S. Department of Energy
Solubility in water: Solubility in water: reaction[3]
3 values
From ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative source here.
Value As written Source
– Decomposes (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.
– Soluble in ether and carbon disulfide [5] Hazardous Substances Data Bank (HSDB)cites Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 157
–shown Solubility in water: reaction [3] ILO-WHO International Chemical Safety Cards (ICSCs)
Vapor pressure: VP: 1 mmHg at 32.1 °C[5]
6 values
3 of 4 sources agree on it (most common value).
Value As written Source
0.4 mmHg 0.4 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.
1 mmHg 1 mmHg at 89.8 °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.
1 mmHgshown VP: 1 mm Hg at 32.1 °C [5] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 12th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2012., p. V2: 492
0.7 mmHg 0.700 mm Hg at 25 °C, extrapolated [5] Hazardous Substances Data Bank (HSDB)cites Perry RH, Green D; Perry's Chemical Engineer's Handbook. Physical and Chemical Data. New York, NY: McGraw-Hill 7th ed p. 2-61 (1997)
0.38 mmHg Vapor pressure, Pa at 20 °C: 50 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
1 mmHg 1 [mm Hg] @32.1 °C [6] PAC Chemical Database, U.S. Department of Energy
1 more value was reported but failed the checks (unreadable or out of range), so it is not shown.
Flash point: 72 °C (162 °F)(open cup)[5]
6 values
4 of 4 sources agree on it (most common value).
Value As written Source
72 °C 162 °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.
72 °C 72 °C (162 °F) - closed cup [5] Hazardous Substances Data Bank (HSDB)cites Sigma-Aldrich; Safety Data Sheet for Benzoyl chloride. Product Number: 259950, Version 4.10 (Revision Date 06/02/2016). Available from, as of October 5, 2017: https://www.sigmaaldrich.com/safety-center.html
72 °Cshown 162 °F (72 °C)(open cup) [5] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-18
68 °C 68 °C (closed cup) [5] Hazardous Substances Data Bank (HSDB)cites EPA/Office of Pollution Prevention and Toxics; High Production Volume (HPV) Challenge Program's Robust Summaries and Test Plans. Benzoyl Chloride.
72 °C 72 °C c.c. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
72 °C 162 °F [4] Occupational Safety and Health Administration (OSHA)
Autoignition temperature: 197.2 °C[3]

Value	As written	Source
–	Benzoyl chloride appears as a colorless fuming liquid with a pungent odor. Flash point 162 °F. Lachrymator, irritating to skin and eyes. Corrosive to metals and tissue. Density 10.2 lb / gal. Used in medicine and in the manufacture of other chemicals.	[1] CAMEO Chemicals
–	CBI; Liquid	[2] EPA Chemical Data Reporting (CDR)
–	FUMING COLOURLESS LIQUID WITH PUNGENT ODOUR.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	A colorless fuming liquid with a pungent odor.	[4] Occupational Safety and Health Administration (OSHA)
–	Transparent, colorless liquid	[5] Hazardous Substances Data Bank (HSDB)cites Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 157
–shown	Colorless, fuming liquid	[5] Hazardous Substances Data Bank (HSDB)cites NOAA; CAMEO Chemicals. Database of Hazardous Materials. Benzoyl chloride (98-88-4). Natl Ocean Atmos Admin, Off Resp Rest; NOAA Ocean Serv. Available from, as of Oct 20, 2017: https://cameochemicals.noaa.gov/
–	Colorless to slightly yellow liquid	[5] 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
–shown	Fuming pungent	[5] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 12th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2012., p. V2: 492
–	Pungent, aromatic	[5] 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
−1.0 °Cshown	30.2 °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.
−1 °C	-1 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
−1.0 °C	30.2 °F	[4] Occupational Safety and Health Administration (OSHA)
−0.5 °C	-0.5 °C	[6] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
197 °C	387 °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.
197.2 °Cshown	197.2 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
197 °C	387 °F	[4] Occupational Safety and Health Administration (OSHA)
197 °C	197 °C @760 [mm Hg]	[6] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
–shown	1.211 at 77 °F (USCG, 1999) - Denser 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): 1.21	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	1.211	[4] Occupational Safety and Health Administration (OSHA)
–	1.22 @ 15°C	[6] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
–	Decomposes (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.
–	Soluble in ether and carbon disulfide	[5] Hazardous Substances Data Bank (HSDB)cites Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 157
–shown	Solubility in water: reaction	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
0.4 mmHg	0.4 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.
1 mmHg	1 mmHg at 89.8 °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.
1 mmHgshown	VP: 1 mm Hg at 32.1 °C	[5] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 12th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2012., p. V2: 492
0.7 mmHg	0.700 mm Hg at 25 °C, extrapolated	[5] Hazardous Substances Data Bank (HSDB)cites Perry RH, Green D; Perry's Chemical Engineer's Handbook. Physical and Chemical Data. New York, NY: McGraw-Hill 7th ed p. 2-61 (1997)
0.38 mmHg	Vapor pressure, Pa at 20 °C: 50	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
1 mmHg	1 [mm Hg] @32.1 °C	[6] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
72 °C	162 °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.
72 °C	72 °C (162 °F) - closed cup	[5] Hazardous Substances Data Bank (HSDB)cites Sigma-Aldrich; Safety Data Sheet for Benzoyl chloride. Product Number: 259950, Version 4.10 (Revision Date 06/02/2016). Available from, as of October 5, 2017: https://www.sigmaaldrich.com/safety-center.html
72 °Cshown	162 °F (72 °C)(open cup)	[5] Hazardous Substances Data Bank (HSDB)cites National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-18
68 °C	68 °C (closed cup)	[5] Hazardous Substances Data Bank (HSDB)cites EPA/Office of Pollution Prevention and Toxics; High Production Volume (HPV) Challenge Program's Robust Summaries and Test Plans. Benzoyl Chloride.
72 °C	72 °C c.c.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
72 °C	162 °F	[4] Occupational Safety and Health Administration (OSHA)

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: 1
Rotatable bonds: 1
TPSA (Å²): 17.1
Formal charge: 0
XLogP3: 2.9 PubChem
Complexity: 105 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

C59.81%
H3.59%
Cl25.22%
O11.38%

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: 2.07 Crippen (Wildman and Crippen 1999)
log S (water solubility): -2.44 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 1.49 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 140.57
log P ≤ 5 (Crippen): 2.07
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 [7].

Corrosive
Harmful or irritant

NFPA 704[5]

H302Harmful if swallowed
H312Harmful in contact with skin
H314Causes severe skin burns and eye damage
H317May cause an allergic skin reaction
H332Harmful if inhaled

Precautionary statements: P260, P261, P264, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, P501

View all classifications (3)

[7] Regulation (EC) No 1272/2008 of the European Parliament and of the Council · DangerH302, H312, H314, H317, H332
[8] European Chemicals Agency (ECHA) · 523 reports · DangerH302, H311, H312, H314, H317, H318, H330, H331, H332
[5] Hazardous Substances Data Bank (HSDB) · DangerH227, H302, H312, H314, H317, H318, H332, H402

Exposure limits

TLV: (ceiling value): 0.5 ppm as STEL.[3]
TLV-C (Ceiling): 0.5 ppm [1992][4]
IDLH: 10 mg/m³[4]
MAK (Maximale Arbeitsplatz Konzentration): Skin absorption (H); carcinogen category: 1[3]

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…[9]
Fresh air, rest. Half-upright position. Artificial respiration may be needed. Refer for medical attention.[3]
Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer for medical attention . Wear protective gloves when administering first aid.[3]

Storage

See Chemical Dangers. Separated from food and feedstuffs and incompatible materials. Dry. Well closed.[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. Store under inert gas. Moisture sensitive. Storage class (TRGS 510): Combustible, corrosive hazardous materials.[5]
Store in a cool, dry, well-ventilated location. Separate from alkalies, oxidizing materials, alcohol, and water.[5]

Incompatibilities

Incompatible materials: Strong oxidizing agents, strong bases, alcohols.[5]
Will react with water or steam to produce heat and toxic and corrosive fumes.[5]
Violent or explosive reaction with dimethyl sulfoxide, and aluminum chloride + naphthalene.[5]
Incompatible with dimethyl sulfoxide, (sodium azide + potassium hydroxide), water, steam, and oxidizers.[5]

Safety data sheets on the supplier’s page: AKos Consulting & Solutions, Finetech Industry Limited, VladaChem.

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]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
[6]PAC Chemical Database, U.S. Department of Energy · Public domain (US DOE) · via PubChem · retrieved 2026-10-14
[7]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
[8]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
[9]Emergency Response Guidebook (ERG) · Public domain (US DOT) · via PubChem · retrieved 2026-10-14
[10]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
[11]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
[12]NIST Mass Spectrometry Data Center · 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.