3,3′-Dichlorobenzidine dihydrochloride

C₁₂H₁₂Cl₄N₂CAS 612-83-9326.04 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₁₂H₁₂Cl₄N₂
Molar mass: 326.04 g/mol
Exact mass: 323.9755 Da
Water solubility: < 1 g/L (21.5 °C)
logP: 4.67Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Danger

H312 Harmful in contact with skin100% of notifiers
H317 May cause an allergic skin reaction100% of notifiers
H350 May cause cancer100% of notifiers
H400 Very toxic to aquatic life29.5% of notifiers
H410 Very toxic to aquatic life with long lasting effects33.3% of notifiers
H411 Toxic to aquatic life with long lasting effects66.7% of notifiers

Aggregated from 156 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P272, P273, P280, P302+P352, P317, P318, P321, P333+P317, P362+P364, P391, P405, P501

Identifiers

CAS number

612-83-9

SMILES

Cl.Cl.Nc1ccc(-c2ccc(N)c(Cl)c2)cc1Cl

InChIKey

BXAONUZFBUNTQR-UHFFFAOYSA-N

InChI

InChI=1S/C12H10Cl2N2.2ClH/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8;;/h1-6H,15-16H2;2*1H

Weigh it out

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

Names and synonyms

7 names

[1,1′-Biphenyl]-4,4′-diamine, 3,3′-dichloro-, hydrochloride (1:2)
Benzidine, 3,3′-dichloro-, dihydrochloride
[1,1′-Biphenyl]-4,4′-diamine, 3,3′-dichloro-, dihydrochloride
3,3′-Dichloro-4,4′-diaminobiphenyl dihydrochloride
3,3′-Dichloro[1,1′-biphenyl]-4,4′-diamine dihydrochloride
Dichlodine H
3,3'-Dichlorobenzidine dihydrochloride

Work with 3,3′-Dichlorobenzidine dihydrochloride

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.

3,3′-Dichlorobenzidine91-94-1Free base

Similar compounds

2-Chloro-1,4-benzenediamine hydrochloride62106-51-867 % similar 4-Amino-3-chlorophenol hydrochloride52671-64-462 % similar o-Chloroaniline hydrochloride137-04-262 % similar 3,3′-Diaminobenzidine tetrahydrochloride7411-49-660 % similar 2,4-Dichloroaniline554-00-756 % similar 2-Chloro-p-phenylenediamine615-66-756 % similar 3,3'-Diaminobenzidine tetrahydrochloride dihydrate167684-17-554 % similar 2-Chloro-4-methylaniline615-65-654 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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