chempirical

3-Chloroaniline

C6H6ClNCAS 108-42-9127.57 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
1.215 g/mL (at 22 °C)
Melting point
−10.4 °C
Boiling point
230.5 °C
logP
1.92Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
108-42-9
SMILES
Nc1cccc(Cl)c1
InChIKey
PNPCRKVUWYDDST-UHFFFAOYSA-N
InChI
InChI=1S/C6H6ClN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2

Weigh it out

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

Names and synonyms

14 names · show all
  • Benzenamine, 3-chloro-
  • Aniline, m-chloro-
  • 3-Chlorobenzenamine
  • m-Chloroaniline
  • Fast orange GC base
  • m-Aminochlorobenzene
  • m-Chlorophenylamine
  • Orange GC base
  • 1-Amino-3-chlorobenzene
  • 3-Chlorophenylamine
  • 3-Amino-1-chlorobenzene
  • 3-Chloro-1-aminobenzene
  • NSC 17581
  • 5-Chloroaniline

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

Similar compounds

3-Chloroaniline hydrochloride141-85-586 % similar M-Phenylenediamine108-45-263 % similar 1,3-Dichlorobenzene541-73-158 % similar 3,5-Diaminochlorobenzene33786-89-957 % similar 3,5-Dichloroaniline626-43-757 % similar M-Phenylenediamine hydrochloride541-69-555 % similar 3-Fluoroaniline372-19-050 % similar M-Toluidine108-44-148 % similar

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

Same formula

4-Chloroaniline106-47-8 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 3-Chloro-4-methylpyridine72093-04-0

Elsewhere

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