2-Aminobenzoic acid (C7H7NO2): structure, properties and hazards

Names and identifiers

IUPAC name: 2-aminobenzoic acid
Synonyms: anthranilic acid, vitamin L1, tryptophan precursor
+ 36 more
o-aminobenzoic acid, o-Carboxyaniline, 2-Carboxyaniline, o-Anthranilic acid, Benzoic acid, 2-amino-, 1-Amino-2-carboxybenzene, ortho-Aminobenzoic acid, Benzoic acid, o-amino-, 2-azaniumylbenzoate, Carboxyaniline, Kyselina anthranilova, NCI-C01730, Vitamin L, Kyselina o-aminobenzoova, 2-amino-Benzoic acid, DTXSID8020094, 0YS975XI6W, CHEBI:30754, Ortho-amidobenzoic acid, NSC-144, NSC-40929, DTXCID7094, RefChem:5556, 204-287-5, Benzoic acid, amino-, Caswell No. 033G, Kyselina anthranilova [Czech], Kyselina o-aminobenzoova [Czech], NSC 144, BRN 0471803, AI3-02408, Anthranilic Acid-13C6, Cupric anthranilate, MFCD00007712, Bis(anthranilato)copper, 2-AA
Molecular formula: C₇H₇NO₂
Empirical formula: C₇H₇NO₂
Molecular weight: 137.14 g/mol
Exact mass: 137.04768
CAS number: 118-92-3
PubChem CID: 227
Canonical SMILES: C1=CC=C(C(=C1)C(=O)O)N
Isomeric SMILES: C1=CC=C(C(=C1)C(=O)O)N
InChI: InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)
InChIKey: RWZYAGGXGHYGMB-UHFFFAOYSA-N
Molfile

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

Physical properties

TemperaturePressureDensity

Appearance: Anthranilic acid appears as odorless white to pale-yellow or tan crystalline powder with a sweetish taste. (NTP, 1992)[1]
3 values
From CAMEO Chemicals, the most authoritative source here.
Value As written Source
–shown Anthranilic acid appears as odorless white to pale-yellow or tan crystalline powder with a sweetish taste. (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.
– COLOURLESS-TO-YELLOW FLAKES OR WHITE-TO-YELLOW CRYSTALLINE POWDER. [2] ILO-WHO International Chemical Safety Cards (ICSCs)
– NEEDLE-LIKE CRYSTALS [3] Hazardous Substances Data Bank (HSDB)cites Sax, N.I. Dangerous Properties of Industrial Materials. 4th ed. New York: Van Nostrand Reinhold, 1975., p. 411
Melting point: 146-148 °C[2]
2 values
Sources disagree; from ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative.
Value As written Source
144 to 146 °C 291 to 295 °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.
146 to 148 °Cshown 146-148 °C [2] ILO-WHO International Chemical Safety Cards (ICSCs)
Boiling point: Reported, but no value passed the checks.
The value and why
Sublimes (NTP, 1992) (could not be read; source [1])
Density: 1.412 @ 20°C[4]
3 values
3 of 3 sources agree on it (most common value).
Value As written Source
– 1.412 (NTP, 1992) - Denser than water [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.
– 1.4 g/cm³ [2] ILO-WHO International Chemical Safety Cards (ICSCs)
–shown 1.412 @ 20°C [4] 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.
Solubility in water: Solubility in water, g/100ml at 20 °C: 0.35 (poor)[2]
3 values
From ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative source here.
Value As written Source
– less than 0.1 mg/mL at 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.
– In water, 3.5X10+3 mg/L at 25 °C [3] Hazardous Substances Data Bank (HSDB)cites Yalkowsky, S.H., He, Yan., Handbook of Aqueous Solubility Data: An Extensive Compilation of Aqueous Solubility Data for Organic Compounds Extracted from the AQUASOL dATAbASE. CRC Press LLC, Boca Raton, FL. 2003., p. 386
–shown Solubility in water, g/100ml at 20 °C: 0.35 (poor) [2] ILO-WHO International Chemical Safety Cards (ICSCs)
log P: log Kow = 1.21[3]
2 values
Sources disagree; from Hazardous Substances Data Bank (HSDB), the most authoritative.
Value As written Source
–shown log Kow = 1.21 [3] 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. 30
– 0.99-1.3 [2] ILO-WHO International Chemical Safety Cards (ICSCs)
pKa: pKa = 2.14[3]
Vapor pressure: Vapor pressure, Pa at 52.6 °C: 0.1[2]
Flash point: 150 °C[2]
3 values
2 of 3 sources agree on it (most common value).
Value As written Source
171 °C 340 °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.
150 °C 150 °C /from table/ [3] Hazardous Substances Data Bank (HSDB)cites International Program on Chemical Safety/Commission of the European Communities; International Chemical Safety Card on Anthranilic acid (November 1998). Available from, as of July 12, 2007: https://www.inchem.org/pages/icsc.html
150 °Cshown 150 °C [2] ILO-WHO International Chemical Safety Cards (ICSCs)
Autoignition temperature: >530 °C[2]

Value	As written	Source
–shown	Anthranilic acid appears as odorless white to pale-yellow or tan crystalline powder with a sweetish taste. (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.
–	COLOURLESS-TO-YELLOW FLAKES OR WHITE-TO-YELLOW CRYSTALLINE POWDER.	[2] ILO-WHO International Chemical Safety Cards (ICSCs)
–	NEEDLE-LIKE CRYSTALS	[3] Hazardous Substances Data Bank (HSDB)cites Sax, N.I. Dangerous Properties of Industrial Materials. 4th ed. New York: Van Nostrand Reinhold, 1975., p. 411

Value	As written	Source
144 to 146 °C	291 to 295 °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.
146 to 148 °Cshown	146-148 °C	[2] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
–	1.412 (NTP, 1992) - Denser than water	[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.
–	1.4 g/cm³	[2] ILO-WHO International Chemical Safety Cards (ICSCs)
–shown	1.412 @ 20°C	[4] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
–	less than 0.1 mg/mL at 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.
–	In water, 3.5X10+3 mg/L at 25 °C	[3] Hazardous Substances Data Bank (HSDB)cites Yalkowsky, S.H., He, Yan., Handbook of Aqueous Solubility Data: An Extensive Compilation of Aqueous Solubility Data for Organic Compounds Extracted from the AQUASOL dATAbASE. CRC Press LLC, Boca Raton, FL. 2003., p. 386
–shown	Solubility in water, g/100ml at 20 °C: 0.35 (poor)	[2] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
–shown	log Kow = 1.21	[3] 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. 30
–	0.99-1.3	[2] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
171 °C	340 °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.
150 °C	150 °C /from table/	[3] Hazardous Substances Data Bank (HSDB)cites International Program on Chemical Safety/Commission of the European Communities; International Chemical Safety Card on Anthranilic acid (November 1998). Available from, as of July 12, 2007: https://www.inchem.org/pages/icsc.html
150 °Cshown	150 °C	[2] 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: 10
Rings: 1
Aromatic rings: 1
Fraction sp³ carbons (Fsp3): 0
H-bond donors: 2
H-bond acceptors: 2 computed here · PubChem 3
Rotatable bonds: 1
TPSA (Å²): 63.3
Formal charge: 0
XLogP3: 1.2 PubChem
Complexity: 136 PubChem
Stereocenters: None
Double-bond geometry: None specified
Point group: C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

C61.31%
H5.15%
N10.21%
O23.33%

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: 0.97 Crippen (Wildman and Crippen 1999)
log S (water solubility): -1.68 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 1.53 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 137.14
log P ≤ 5 (Crippen): 0.97
H-bond donors ≤ 5: 2
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

Most widely reported: 321 company reports to ECHA. Source [5].

Corrosive
Harmful or irritant

H318Causes serious eye damage (49.5% of reports)
H319Causes serious eye irritation (50.2% of reports)

Precautionary statements: P264+P265, P280, P305+P351+P338, P305+P354+P338, P317, P337+P317

View all classifications (2)

[5] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for 0.3% (1 of 321) of reports.
[5] European Chemicals Agency (ECHA) · 321 reports · DangerH318, H319

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]
Fresh air, rest.[2]
Rinse and then wash skin with water and soap.[2]
First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.[2]

Storage

Separated from oxidants.[2]
Separated from strong oxidants. (from table)[3]

Incompatibilities

Reacts with oxidants causing fire hazard. (from table)[3]

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]ILO-WHO International Chemical Safety Cards (ICSCs) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
[3]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
[4]PAC Chemical Database, U.S. Department of Energy · Public domain (US DOE) · via PubChem · retrieved 2026-10-14
[5]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
[6]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
[7]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
[8]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
[9]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
[10]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
[11]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.

Similar structures

Tanimoto similarity on Morgan fingerprints (radius 2) with RDKit 2026.09, at least 45%.

Isomers in the library

4-Aminobenzoic acid