3-Amino-4-chlorobenzoic acid
Properties
- Molecular formula
- C7H6ClNO2
- Molar mass
- 171.58 g/mol
- Exact mass
- 171.0087 Da
- Melting point
- 214 °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 irritation30.1% of notifiers
- H319 Causes serious eye irritation30.1% of notifiers
- H335 May cause respiratory irritation29.4% of notifiers
- H411 Toxic to aquatic life with long lasting effects69.3% of notifiers
Aggregated from 153 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
2840-28-0SMILES
Nc1cc(C(=O)O)ccc1ClInChIKey
DMGFVJVLVZOSOE-UHFFFAOYSA-NInChI
InChI=1S/C7H6ClNO2/c8-5-2-1-4(7(10)11)3-6(5)9/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, 3-amino-4-chloro-
- 4-Chloro-3-aminobenzoic acid
- NSC 211572
- 4-Chloro-5-aminobenzoic acid
Work with 3-Amino-4-chlorobenzoic acid
Similar compounds
2-Aminoterephthalic acid10312-55-771 % similar
2-(3-Amino-4-chlorobenzoyl)benzoic acid118-04-768 % similar
3,4-Dichlorobenzoic acid51-44-568 % similar
3,4-Diaminobenzoic acid619-05-668 % similar
2,2'-Diamino-[1,1'-biphenyl]-4,4'-dicarboxylic acid41738-56-166 % similar
3-Amino-4-hydroxybenzoic acid1571-72-862 % similar
4-Chloro-3-hydroxybenzoic acid34113-69-462 % similar
2-Amino-4,5-dichlorobenzoic acid20776-61-861 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.