4-Bromo-2-chloroaniline

C₆H₅BrClNCAS 38762-41-3206.47 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₅BrClN
Molar mass: 206.47 g/mol
Exact mass: 204.9294 Da
Melting point: 70.5–72 °C
logP: 2.68Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H311 Toxic in contact with skin10.4% of notifiers
H312 Harmful in contact with skin89.6% of notifiers
H332 Harmful if inhaled100% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure10.4% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P316, P317, P319, P321, P330, P361+P364, P362+P364, P405, P501

Identifiers

CAS number

38762-41-3

SMILES

Nc1ccc(Br)cc1Cl

InChIKey

INMZDDDQLHKGPF-UHFFFAOYSA-N

InChI

InChI=1S/C6H5BrClN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2

Weigh it out

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

Names and synonyms

5 names

Benzenamine, 4-bromo-2-chloro-
Aniline, 4-bromo-2-chloro-
4-Bromo-2-chlorobenzenamine
2-Chloro-4-bromoaniline
4-Bromo-2-chlorophenylamine

Work with 4-Bromo-2-chloroaniline

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-Bromobenzene-1,2-diamine1575-37-760 % similar 4-Bromo-1,2-dichlorobenzene18282-59-260 % similar 3,3′-Dichlorobenzidine91-94-158 % similar 4-Amino-3-chlorophenol17609-80-257 % similar 1,4-Dibromo-2-chlorobenzene3460-24-056 % similar 2,4-Dichloroaniline554-00-756 % similar 2,4-Dibromoaniline615-57-656 % similar 2-Chloro-p-phenylenediamine615-66-756 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromo-6-chloro-2-methylpyridine132606-40-7 3-Bromo-2-chloro-5-methylpyridine17282-03-0 3-Bromo-2-chloro-6-picoline185017-72-5 4-Bromo-3-chloroaniline21402-26-6 5-Bromo-2-chloro-3-methylpyridine29241-60-9 3-Bromo-2-chloro-4-methylpyridine55404-31-4 5-Bromo-2-chloroaniline60811-17-8 2-Bromo-5-chloro-3-methylpyridine65550-77-8

Elsewhere

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