4-Bromo-3-chloroaniline

C6H5BrClNCAS 21402-26-6206.47 g/mol

Open in Covalent MOL file
H2NBrCl
Aryl halidePrimary amine

Properties

Molecular formula
C6H5BrClN
Molar mass
206.47 g/mol
Exact mass
204.9294 Da
Melting point
66–67 °C
logP
2.68Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P271, P301+P317, P304+P340, P317, P319, P330, P501

Identifiers

CAS number
21402-26-6
SMILES
Nc1ccc(Br)c(Cl)c1
InChIKey
QLYHPNUFNZJXOQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H5BrClN/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2

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Names and synonyms

5 names
  • Benzenamine, 4-bromo-3-chloro-
  • Aniline, 4-bromo-3-chloro-
  • 4-Bromo-3-chlorobenzenamine
  • 3-Chloro-4-bromoaniline
  • (4-Bromo-3-chlorophenyl)amine

Work with 4-Bromo-3-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

3-Bromo-4-chloroaniline823-54-169 % similar 3,4-Dibromobenzenamine615-55-460 % similar 3,4-Dichloroaniline95-76-160 % similar 1-Bromo-2-chlorobenzene694-80-458 % similar 4-Amino-2-chlorophenol3964-52-157 % similar 1-Bromo-2,4-dichlorobenzene1193-72-256 % similar 1,4-Dibromo-2-chlorobenzene3460-24-056 % 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 5-Bromo-2-chloro-3-methylpyridine29241-60-9 4-Bromo-2-chloroaniline38762-41-3 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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