2-Chloro-p-phenylenediamine

C₆H₇ClN₂CAS 615-66-7142.59 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₇ClN₂
Molar mass: 142.59 g/mol
Exact mass: 142.0298 Da
Melting point: 63 °C
logP: 1.50Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled50% of notifiers
H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

615-66-7

SMILES

Nc1ccc(N)c(Cl)c1

InChIKey

MGLZGLAFFOMWPB-UHFFFAOYSA-N

InChI

InChI=1S/C6H7ClN2/c7-5-3-4(8)1-2-6(5)9/h1-3H,8-9H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names

1,4-Benzenediamine, 2-chloro-
p-Phenylenediamine, 2-chloro-
2-Chloro-1,4-benzenediamine
C.I. 76065
3-Chloro-4-aminoaniline
Ursol brown O
2-Chloro-1,4-phenylenediamine
1,4-Diamino-2-chlorobenzene
2-Chloro-1,4-diaminobenzene
2,5-Diaminochlorobenzene
4-Amino-2-chloroaniline

Work with 2-Chloro-p-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2-Chloro-p-phenylenediamine sulfate6219-71-2Salt 2-Chloro-p-phenylenediamine sulfate61702-44-1Salt 2-Chloro-1,4-benzenediamine hydrochloride62106-51-8Salt

Similar compounds

4-Chloro-m-phenylenediamine5131-60-267 % similar 3,4-Dichloroaniline95-76-165 % similar 3,3′-Dichlorobenzidine91-94-163 % similar 2,4-Dichloroaniline554-00-760 % similar 2-Chloro-4-methylaniline615-65-658 % similar 4,4′-Methylenebis[2-chloroaniline]101-14-456 % similar 3-Chloro-4-iodobenzenamine135050-44-156 % similar 4-Amino-3-chlorophenol17609-80-256 % 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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