chempirical

2-Bromo-4-chloroaniline

C6H5BrClNCAS 873-38-1206.47 g/mol

Open in Covalent MOL file
H2NClBr
Aryl halidePrimary amine

Properties

Molecular formula
C6H5BrClN
Molar mass
206.47 g/mol
Exact mass
204.9294 Da
Melting point
65–67 °C
logP
2.68Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
873-38-1
SMILES
Nc1ccc(Cl)cc1Br
InChIKey
SYTBIFURTZACKR-UHFFFAOYSA-N
InChI
InChI=1S/C6H5BrClN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H2

Weigh it out

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

Names and synonyms

6 names
  • Benzenamine, 2-bromo-4-chloro-
  • Aniline, 2-bromo-4-chloro-
  • 2-Bromo-4-chlorobenzenamine
  • NSC 139478
  • 4-Chloro-2-bromoaniline
  • 2-Bromo-4-chloro-phenylamine

Work with 2-Bromo-4-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-Chloro-1,2-phenylenediamine95-83-060 % similar 2-Bromo-1,4-dichlorobenzene1435-50-356 % similar 2,4-Dichloroaniline554-00-756 % similar 2,4-Dibromoaniline615-57-656 % similar 4-Chloro-O-toluidine95-69-254 % similar 2,6-Dibromo-4-chloroaniline874-17-952 % similar 2-Bromo-4-fluoroaniline1003-98-152 % similar 2-Bromo-4-chloro-1-fluorobenzene1996-30-152 % 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 4-Bromo-3-chloroaniline21402-26-6 4-Bromo-2-chloroaniline38762-41-3 3-Bromo-2-chloro-4-methylpyridine55404-31-4 2-Bromo-5-chlorobenzenamine823-57-4

Elsewhere

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