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
logP: 3.82Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

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

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Names and synonyms

15 names · show all

[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′-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

Similar compounds

3,3′-Dichlorobenzidine dihydrochloride612-83-986 % similar 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

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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