chempirical

2,2′,5,5′-Tetrachlorobenzidine

C12H8Cl4N2CAS 15721-02-5322.01 g/mol

Open in Covalent MOL file
H2NClClNH2ClCl
Aryl halidePrimary amine

Properties

Molecular formula
C12H8Cl4N2
Molar mass
322.01 g/mol
Exact mass
319.9442 Da
Melting point
135 °C
logP
5.13Crippen estimate
Polar surface area
52.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
15721-02-5
SMILES
Nc1cc(Cl)c(-c2cc(Cl)c(N)cc2Cl)cc1Cl
InChIKey
UXOXUHMFQZEAFR-UHFFFAOYSA-N
InChI
InChI=1S/C12H8Cl4N2/c13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h1-4H,17-18H2

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, 2,2′,5,5′-tetrachloro-
  • Benzidine, 2,2′,5,5′-tetrachloro-
  • 2,2′,5,5′-Tetrachloro[1,1′-biphenyl]-4,4′-diamine
  • 3,3′,6,6′-Tetrachlorobenzidine
  • 4,4′-Diamino-2,2′,5,5′-tetrachlorobiphenyl
  • Tetradine
  • 2,2′,5,5′-Tetrachlorobiphenyl-4,4′-diamine

Work with 2,2′,5,5′-Tetrachlorobenzidine

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

2,5-Dichloro-1,4-benzenediamine20103-09-778 % similar 2,4,5-Trichloroaniline636-30-670 % similar 4,5-Dichloro-1,2-phenylenediamine5348-42-560 % similar 2-Chloro-5-methyl-1,4-benzenediamine5307-03-956 % similar 3,3'-Dichlorobenzidine91-94-148 % similar 2,4-Dichloro-5-methoxybenzenamine98446-49-246 % similar 4-Chloro-M-phenylenediamine5131-60-246 % similar 2,4-Dichloroaniline554-00-746 % similar

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

Elsewhere

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