4,5-Dichloro-1,2-phenylenediamine

C₆H₆Cl₂N₂CAS 5348-42-5177.03 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₆Cl₂N₂
Molar mass: 177.03 g/mol
Exact mass: 175.9908 Da
Melting point: 159–162 °C
logP: 2.16Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin91.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation97.9% of notifiers

Aggregated from 48 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

5348-42-5

SMILES

Nc1cc(Cl)c(Cl)cc1N

InChIKey

IWFHBRFJOHTIPU-UHFFFAOYSA-N

InChI

InChI=1S/C6H6Cl2N2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,9-10H2

Weigh it out

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

Names and synonyms

12 names

1,2-Benzenediamine, 4,5-dichloro-
o-Phenylenediamine, 4,5-dichloro-
4,5-Dichloro-1,2-benzenediamine
1,2-Dichloro-4,5-diaminobenzene
1,2-Diamino-4,5-dichlorobenzene
4,5-Dichloro-1,2-diaminobenzene
4,5-Dichloro-o-phenylenediamine
2-Amino-4,5-dichloroaniline
1,2-Dichloro-4,5-phenylenediamine
NSC 1577
4,5-Dichlorophenyldiamine
4,5-Dichloro-1,2-diamine

Work with 4,5-Dichloro-1,2-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

2,4,5-Trichloroaniline636-30-676 % similar 4-Chloro-5-fluoro-O-phenylenediamine139512-70-262 % similar 4-Chloro-5-methylbenzene-1,2-diamine63155-04-462 % similar 2,2′,5,5′-Tetrachlorobenzidine15721-02-560 % similar 2-Chloroaniline95-51-255 % similar 1,2,4,5-Tetrachlorobenzene95-94-353 % similar 4-Amino-2,5-dichlorophenol50392-39-752 % similar 2-Chloro-5-methyl-1,4-benzenediamine5307-03-952 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,5-Dichloro-6-ethylpyrimidine115617-41-9 2,4-Dichlorophenylhydrazine13123-92-7 2,5-Dichloro-1,4-benzenediamine20103-09-7 2-Amino-3,5-dichloro-6-methylpyridine22137-52-6 (2,5-Dichlorophenyl)hydrazine305-15-7 3,5-Dichloro-4-methylpyridin-2-amine31430-47-4 3,6-Dichloro-4,5-dimethylpyridazine34584-69-5 3,5-Dichlorophenylhydrazine39943-56-1

Elsewhere

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