2,5-Dichloro-1,4-benzenediamine

C₆H₆Cl₂N₂CAS 20103-09-7177.03 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: 170 °C
Water solubility: slightly soluble
logP: 2.16Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed95.8% of notifiers
H312 Harmful in contact with skin10.4% of notifiers
H315 Causes skin irritation95.8% of notifiers
H319 Causes serious eye irritation95.8% of notifiers
H332 Harmful if inhaled10.4% of notifiers
H335 May cause respiratory irritation93.8% 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

20103-09-7

SMILES

Nc1cc(Cl)c(N)cc1Cl

InChIKey

QAYVHDDEMLNVMO-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

9 names

1,4-Benzenediamine, 2,5-dichloro-
2,5-Dichloro-1,4-phenylenediamine
4-Amino-2,5-dichloroaniline
2,5-Dichloro-1,4-diaminobenzene
1,4-Diamino-2,5-dichlorobenzene
2,5-Dichloro-1,4-p-phenylenediamine
p-Phenylenediamine, 2,5-dichloro-
2,5-Diamino-1,4-dichlorobenzene
2,5-Dichloro-p-phenylenediamine

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

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-Trichloroaniline636-30-688 % similar 2,2′,5,5′-Tetrachlorobenzidine15721-02-578 % similar 4-Amino-2,5-dichlorophenol50392-39-767 % similar 2-Chloro-5-methyl-1,4-benzenediamine5307-03-967 % similar 2-Chloro-4,5-difluoroaniline2613-32-362 % similar 2,4-Dichloro-5-fluoroaniline348-64-159 % similar 5-Amino-2,4-dichlorophenol39489-79-759 % similar 3,3′-Dichlorobenzidine91-94-157 % 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-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 4,5-Dichloro-1,2-phenylenediamine5348-42-5

Elsewhere

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