3,3′-Dichlorobenzidine

C₁₂H₁₀Cl₂N₂CAS 91-94-1253.13 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₁₂H₁₀Cl₂N₂
Molar mass: 253.13 g/mol
Exact mass: 252.0221 Da
Melting point: 132–133 °C
Boiling point: 402 °C
pKa: 1.6, 3.2
Water solubility: 3.1 mg/L (25 °C)
logP: 3.82Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Danger

H312 Harmful in contact with skinAcute toxicity, dermal
H317 May cause an allergic skin reactionSensitization, Skin
H350 May cause cancerCarcinogenicity
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 612-068-00-4), via PubChem.

Precautionary statements

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

Identifiers

CAS number

91-94-1

SMILES

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

InChIKey

HUWXDEQWWKGHRV-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

15 names · show all

3,3'-Dichlorobenzidine
[1,1′-Biphenyl]-4,4′-diamine, 3,3′-dichloro-
Benzidine, 3,3′-dichloro-
3,3′-Dichloro[1,1′-biphenyl]-4,4′-diamine
C.I. 23060
o,o′-Dichlorobenzidine
3,3′-Dichlorobiphenyl-4,4′-diamine
3,3′-Dichloro-4,4′-diaminobiphenyl
Curithane C 126
4,4′-Diamino-3,3′-dichlorodiphenyl
4,4′-Diamino-3,3′-dichlorobiphenyl
4′-Amino-3,3′-dichloro[1,1′-biphenyl]-4-ylamine
3,3′-Dichloro-p,p′-bianiline
NSC 154073
4,4′-Bis(2-chloroaniline)

Work with 3,3′-Dichlorobenzidine

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 Boiling point under vacuumAt any pressure, from its normal boiling point 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′-Dichlorobenzidine dihydrochloride612-83-9Salt

Similar compounds

2,4-Dichloroaniline554-00-763 % similar 2-Chloro-p-phenylenediamine615-66-763 % similar 2-Chloro-4-methylaniline615-65-660 % similar 4,4′-Methylenebis[2-chloroaniline]101-14-458 % similar 4-Amino-3-chlorophenol17609-80-258 % similar 2-Chloro-4-fluorobenzenamine2106-02-758 % similar 4-Bromo-2-chloroaniline38762-41-358 % similar 2-Chloro-4-iodobenzenamine42016-93-358 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia