chempirical

2-Chloroaniline

C6H6ClNCAS 95-51-2127.57 g/mol

Open in Covalent MOL file
H2NCl
Aryl halidePrimary amine

Properties

Molecular formula
C6H6ClN
Molar mass
127.57 g/mol
Exact mass
127.0189 Da
Density
1.2114 g/mL (at 22 °C)
Melting point
−14 °C
Boiling point
208.84 °C
logP
1.92Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
95-51-2
SMILES
Nc1ccccc1Cl
InChIKey
AKCRQHGQIJBRMN-UHFFFAOYSA-N
InChI
InChI=1S/C6H6ClN/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

10 names
  • Benzenamine, 2-chloro-
  • Aniline, o-chloro-
  • 2-Chlorobenzenamine
  • o-Chloroaniline
  • Fast yellow GC base
  • 1-Amino-2-chlorobenzene
  • 2-Chlorophenylamine
  • 2-Amino-1-chlorobenzene
  • o-Aminochlorobenzene
  • NSC 6183

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

Similar compounds

o-Chloroaniline hydrochloride137-04-285 % similar 2,3-Dichloroaniline608-27-564 % similar 3-Chloro-2-methylaniline87-60-561 % similar 3-Chloro-2-fluorobenzenamine2106-04-958 % similar 2-Chloro-4-methylaniline615-65-658 % similar 3-Chloro-2-iodoaniline70237-25-158 % similar 2-Amino-6-chlorobenzonitrile6575-11-758 % similar 3,3'-Dichlorobenzidine91-94-157 % similar

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

Same formula

4-Chloroaniline106-47-8 3-Chloroaniline108-42-9 2-Chloro-6-methylpyridine18368-63-3 2-Chloro-5-methylpyridine18368-64-4 2-Chloro-3-methylpyridine18368-76-8 2-Chloro-4-methylpyridine3678-62-4 4-Chloro-2-methylpyridine3678-63-5 2-Chloromethylpyridine4377-33-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook