4-Bromobenzene-1,2-diamine

C₆H₇BrN₂CAS 1575-37-7187.04 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₇BrN₂
Molar mass: 187.04 g/mol
Exact mass: 185.9793 Da
Melting point: 61–62 °C
logP: 1.61Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed83.6% of notifiers
H302 Harmful if swallowed14.5% of notifiers
H315 Causes skin irritation96.4% of notifiers
H317 May cause an allergic skin reaction81.8% of notifiers
H319 Causes serious eye irritation96.4% of notifiers
H335 May cause respiratory irritation12.7% of notifiers

Aggregated from 55 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1575-37-7

SMILES

Nc1ccc(Br)cc1N

InChIKey

WIHHVKUARKTSBU-UHFFFAOYSA-N

InChI

InChI=1S/C6H7BrN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2

Weigh it out

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

Names and synonyms

14 names · show all

4-Bromo-1,2-benzenediamine
1,2-Benzenediamine, 4-bromo-
o-Phenylenediamine, 4-bromo-
3,4-Diaminobromobenzene
4-Bromo-1,2-phenylenediamine
p-Bromo-o-phenylenediamine
4-Bromo-o-phenylenediamine
4-Bromo-1,2-diaminobenzene
5-Bromo-o-phenylenediamine
4-Bromo-1,3-phenylenediamine
1,2-Diamino-4-bromobenzene
NSC 285110
2-Amino-4-bromoaniline
4-Bromophenyldiamine

Work with 4-Bromobenzene-1,2-diamine

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

4,4'-Dibromobiphenyl-2,2'-diamine136630-36-968 % similar 4-Bromo-2-iodoaniline66416-72-667 % similar 2,5-Dibromoaniline3638-73-165 % similar 2,4-Dibromoaniline615-57-665 % similar 5-Bromo-2-fluorobenzenamine2924-09-660 % similar 4-Bromo-2-fluoroaniline367-24-860 % similar 2-Amino-5-bromophenol38191-34-360 % similar 4-Bromo-2-chloroaniline38762-41-360 % similar

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

Same formula

6-Bromo-N-methylpyridin-3-amine1022641-52-6 4-Amino-5-bromo-2-methylpyridine10460-50-1 2-Amino-3-bromo-6-methylpyridine126325-46-0 6-Bromo-2-methyl-3-pyridinamine126325-47-1 4-Bromo-2-methyl-3-pyridinamine126325-48-2 2-Bromo-4-methyl-3-pyridinamine126325-50-6 2-Bromo-6-methyl-3-pyridinamine126325-53-9 6-Bromo-4-methylpyridin-3-amine156118-16-0

Elsewhere

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