4,5-Dibromo-1,2-phenylenediamine

C₆H₆Br₂N₂CAS 49764-63-8265.94 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₆Br₂N₂
Molar mass: 265.94 g/mol
Exact mass: 263.8898 Da
logP: 2.38Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

49764-63-8

SMILES

C1=C(C(=CC(=C1Br)Br)N)N

InChIKey

TTXGKCVKGXHPRI-UHFFFAOYSA-N

InChI

InChI=1S/C6H6Br2N2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,9-10H2

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Names and synonyms

1 names

4,5-Dibromobenzene-1,2-diamine

Work with 4,5-Dibromo-1,2-phenylenediamine

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

1,2,4,5-Tetrabromobenzene636-28-253 % similar 5-Bromo-2,4-difluoroaniline452-92-652 % similar 2-Bromoaniline615-36-150 % similar 2,5-Dibromoaniline3638-73-148 % similar 2,4-Dibromoaniline615-57-648 % similar 2,3,6,7,10,11-Hexabromotriphenylene82632-80-247 % similar 4-Bromo-2,5-difluoroaniline112279-60-446 % similar 4-Bromo-1,2-benzenediamine1575-37-745 % similar

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

Same formula

2,5-Dibromo-1,4-phenylenediamine25462-61-7 3,5-Dibromo-4-methylpyridin-2-amine3430-29-3 Methyldibromo glutaronitrile35691-65-7 3,6-Dibromo-1,2-benzenediamine69272-50-0 2-Amino-3,5-dibromo-6-methylpyridine91872-10-5

Elsewhere

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