5-Amino-2-chlorobenzoic acid
Properties
- Molecular formula
- C7H6ClNO2
- Molar mass
- 171.58 g/mol
- Exact mass
- 171.0087 Da
- Melting point
- 188 °C
- logP
- 1.62Crippen estimate
- Polar surface area
- 63.3 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
89-54-3SMILES
Nc1ccc(Cl)c(C(=O)O)c1InChIKey
GVCFFVPEOLCYNN-UHFFFAOYSA-NInChI
InChI=1S/C7H6ClNO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,9H2,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Benzoic acid, 5-amino-2-chloro-
- 3-Amino-6-chlorobenzoic acid
- NSC 25172
- 2-Chloro-5-aminobenzoic acid
Work with 5-Amino-2-chlorobenzoic acid
Similar compounds
4-Aminophthalic acid5434-21-968 % similar
4,4'-Diamino-[1,1'-biphenyl]-2,2'-dicarboxylic acid17557-76-566 % similar
2,5-Dichlorobenzoic acid50-79-366 % similar
2-Chloro-5-hydroxybenzoic acid56961-30-962 % similar
5-Aminosalicylic acid89-57-662 % similar
2,5-Dichloro-1,4-benzenedicarboxylic acid13799-90-160 % similar
2-Chloro-5-iodobenzoic acid19094-56-560 % similar
5-Bromo-2-chlorobenzoic acid21739-92-460 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.