chempirical

2-Bromoaniline

C6H6BrNCAS 615-36-1172.02 g/mol

Open in Covalent MOL file
H2NBr
Aryl halidePrimary amine

Properties

Molecular formula
C6H6BrN
Molar mass
172.02 g/mol
Exact mass
170.9684 Da
Density
1.52 g/mL
Melting point
32 °C
Boiling point
229 °C
logP
2.03Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
615-36-1
SMILES
Nc1ccccc1Br
InChIKey
AOPBDRUWRLBSDB-UHFFFAOYSA-N
InChI
InChI=1S/C6H6BrN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2

Weigh it out

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

Names and synonyms

9 names
  • Benzenamine, 2-bromo-
  • Aniline, o-bromo-
  • 2-Bromobenzenamine
  • o-Aminobromobenzene
  • o-Bromoaniline
  • 2-Amino-1-bromobenzene
  • NSC 7086
  • 2-Bromophenylamine
  • 2-Aminobromobenzene

Work with 2-Bromoaniline

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Bromo-2-methylaniline55289-36-657 % similar 1-Amino-4-bromonaphthalene2298-07-954 % similar 2-Amino-6-bromophenol28165-50-654 % similar 3-Bromo-2-fluorobenzenamine58534-95-554 % similar 8-Bromo-1-naphthalenamine62456-34-254 % similar 1,2-Dibromobenzene583-53-953 % similar 2-Amino-6-bromoanisole116557-46-150 % similar 2,5-Dibromoaniline3638-73-150 % similar

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

Same formula

4-Bromo-3-methylpyridine10168-00-0 4-Bromoaniline106-40-1 5-Bromo-2-methylpyridine3430-13-5 3-Bromo-5-methylpyridine3430-16-8 2-Bromo-3-methylpyridine3430-17-9 3-Bromo-4-methylpyridine3430-22-6 2-Bromo-5-methylpyridine3510-66-5 2-Bromo-6-methylpyridine5315-25-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook