4-Amino-2-chlorobenzoic acid

C7H6ClNO2CAS 2457-76-3171.58 g/mol

Open in Covalent MOL file
H2NOOHCl
Aryl halideCarboxylic acidPrimary amine

Properties

Molecular formula
C7H6ClNO2
Molar mass
171.58 g/mol
Exact mass
171.0087 Da
Melting point
211 °C (decomposes)
logP
1.62Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 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
2457-76-3
SMILES
Nc1ccc(C(=O)O)c(Cl)c1
InChIKey
MBDUKNCPOPMRJQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClNO2/c8-6-3-4(9)1-2-5(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

7 names
  • Benzoic acid, 4-amino-2-chloro-
  • 2-Chloro-p-aminobenzoic acid
  • 2-Chloro-4-aminobenzoic acid
  • o-Chloro-p-aminobenzoic acid
  • NSC 33944
  • NSC 53160
  • NSC 64328

Work with 4-Amino-2-chlorobenzoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Amino-2-chlorobenzoic acid89-54-375 % similar 4-Aminophthalic acid5434-21-968 % similar 2,4-Dichlorobenzoic acid50-84-064 % similar 2-Chloro-4-hydroxybenzoic acid56363-84-962 % similar 4-Aminosalicylic acid65-49-662 % similar 4,4'-Diamino-[1,1'-biphenyl]-2,2'-dicarboxylic acid17557-76-561 % similar 2,5-Dichloro-1,4-benzenedicarboxylic acid13799-90-160 % similar 2-Chloro-4-fluorobenzoic acid2252-51-960 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Nitrobenzyl chloride100-14-1 2-Chloro-4-nitrotoluene121-86-8 1-Chloro-2-methyl-4-nitrobenzene13290-74-9 2-Amino-6-chlorobenzoic acid2148-56-3 3-Amino-5-chlorobenzoic acid21961-30-8 Methyl 4-chloropicolinate24484-93-3 4-Amino-3-chlorobenzoic acid2486-71-7 2-Chloro-6-methylpyridine-4-carboxylic acid25462-85-5

Elsewhere

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