2-Benzimidazolecarboxylic acid (HCID 233240)

Overview

1H-benzimidazole-2-carboxylic acid is a benzimidazolecarboxylic acid.

Names & identifiers

Preferred name: 2-Benzimidazolecarboxylic acid
IUPAC: 1H-benzimidazole-2-carboxylic acid
English name: 2-Benzimidazolecarboxylic acid
Molecular formula: C8H6N2O2
Molecular weight: 162.15

Names & synonyms

1H-Benzimidazole-2-carboxylic acid2849-93-62-Benzimidazolecarboxylic acid1H-1,3-benzodiazole-2-carboxylic acid2-Carboxybenzimidazole1H-BENOXIMIDAZOLE-2-CARBOXYLIC ACIDDTXSID50283447NSC-31597NSC-68183CHEBI:46117BENZO(D)IMIDAZOLE-2-CARBOXYLIC ACIDRefChem:465530

Show more names

TRMVITAS-BB TBB000613CHEMBRDG-BB 44002912-Carboxy-1H-benzimidazole1H-benzimidazole-2-formic acid

DTXCID30234598674-586-71H-benzo[d]imidazole-2-carboxylic acidBenzimidazole-2-carboxylic acidBenzoimidazole-2-carboxylic acidMFCD00721565fuberidazole TP1H-Benzimidazole-2-carboxylicacid

Database identifiers

CAS: 2849-93-6
PubChem CID: 233240
DTXSID: DTXSID50283447
ChEBI: CHEBI:46117
UNII: C59S3E32RV
EC Number: 674-586-7
Nikkaji: J739.871I

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 66 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 195

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15

PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

Physicochemical properties

Melting point: 176 · 176-180°C
Boiling point: 444 · 444.0±28.0 °C(Predicted)
Density: 1.506 · 1.506±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 1.44 · 1.44±0.30(Predicted)
form: powder
color: Faint yellow
InChI: 1S/C8H6N2O2/c11-8(12)7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)(H,11,12)
InChIKey: RHXSYTACTOMVLJ-UHFFFAOYSA-N
SMILES: OC(=O)c1nc2ccccc2[nH]1
CAS DataBase Reference: 2849 · 2849-93-6(CAS DataBase Reference)
FDA UNII: 59 S3E32RV · C59S3E32RV
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H315-H318-H335
Precautionary statements: 280 · P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
target organs: Respiratory system
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-41-37/38-22
Safety Statements: 26 · 26-36/37/39-39
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 2933998090 · 2933998090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (95.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.