chempirical

4-Chloro-m-phenylenediamine

C6H7ClN2CAS 5131-60-2142.59 g/mol

Open in Covalent MOL file
H2NClNH2
Aryl halidePrimary amine

Properties

Molecular formula
C6H7ClN2
Molar mass
142.59 g/mol
Exact mass
142.0298 Da
Melting point
91 °C
Water solubility
< 1 g/L (18.9 °C)
logP
1.50Crippen estimate
Polar surface area
52.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

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
5131-60-2
SMILES
Nc1ccc(Cl)c(N)c1
InChIKey
ZWUBBMDHSZDNTA-UHFFFAOYSA-N
InChI
InChI=1S/C6H7ClN2/c7-5-2-1-4(8)3-6(5)9/h1-3H,8-9H2

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Names and synonyms

13 names · show all
  • NSC 6074
  • 1,3-Benzenediamine, 4-chloro-
  • m-Phenylenediamine, 4-chloro-
  • 4-Chloro-1,3-benzenediamine
  • C.I. 76027
  • 4-Chloro-1,3-phenylenediamine
  • 1-Chloro-2,4-diaminobenzene
  • 4-Chloro-1,3-diaminobenzene
  • 4-Chloro-3-aminoaniline
  • 3-Amino-4-chloroaniline
  • 2,4-Diaminochlorobenzene
  • 2-Chloro-1,5-phenylenediamine
  • 2,4-Diamino-1-chlorobenzene

Work with 4-Chloro-m-phenylenediamine

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

2-Chloro-p-phenylenediamine615-66-767 % similar 3,4-Dichloroaniline95-76-165 % similar 2,5-Dichloroaniline95-82-960 % similar 2-Chloro-1,4-benzenediamine hydrochloride62106-51-859 % similar 3-Amino-4-chlorophenol16026-77-056 % similar 4-Chloro-3-fluorobenzenamine367-22-656 % similar 2-Chloro-5-fluorobenzenamine452-83-556 % similar 5-Bromo-2-chloroaniline60811-17-856 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(4-Chlorophenyl)hydrazine1073-69-4 2-Chloro-5-ethylpyrimidine111196-81-7 3-Amino-2-chloro-4-methylpyridine133627-45-9 (2-Chloropyridin-4-yl)methanamine144900-57-2 3-Amino-6-chloro-2-picoline164666-68-6 (4-Chloropyridin-2-yl)methanamine180748-30-5 (2-Chloropyridin-3-yl)methanamine205744-14-5 2-Amino-5-chloro-3-methylpyridine20712-16-7

Elsewhere

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