3,6-Dibromo-1,2-benzenediamine

C₆H₆Br₂N₂CAS 69272-50-0265.94 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

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

69272-50-0

SMILES

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

InChIKey

VPMJBJSLTPBZLR-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

3,6-Dibromobenzene-1,2-diamine

Work with 3,6-Dibromo-1,2-benzenediamine

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

2,6-Dibromoaniline608-30-071 % similar 2-Amino-3-bromophenol116435-77-952 % similar 2-Bromo-6-methylaniline53848-17-252 % similar 2-Bromo-6-fluorobenzenamine65896-11-952 % similar 2,4,6-Tribromoaniline147-82-048 % similar 4-Amino-3,5-dibromopyridine84539-34-448 % similar 2-Amino-3-bromobenzonitrile114344-60-446 % similar 4-Bromo-2-methyl-3-pyridinamine126325-48-246 % 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 4,5-Dibromo-1,2-phenylenediamine49764-63-8 2-Amino-3,5-dibromo-6-methylpyridine91872-10-5

Elsewhere

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