chempirical

4-Chloroaniline

C6H6ClNCAS 106-47-8127.57 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
1.169 g/mL (at 77 °C)
Melting point
72.5 °C
Boiling point
232 °C
logP
1.92Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
106-47-8
SMILES
Nc1ccc(Cl)cc1
InChIKey
QSNSCYSYFYORTR-UHFFFAOYSA-N
InChI
InChI=1S/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2

Weigh it out

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

Names and synonyms

12 names
  • Benzenamine, 4-chloro-
  • Aniline, p-chloro-
  • 4-Chlorobenzenamine
  • p-Chloroaniline
  • p-Chlorophenylamine
  • p-Aminochlorobenzene
  • 1-Amino-4-chlorobenzene
  • 4-Chloro-1-aminobenzene
  • 4-Chlorophenylamine
  • 4-Aminochlorobenzene
  • 4-Amino-1-chlorobenzene
  • NSC 36941

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

Similar compounds

4′-Chloro[1,1′-biphenyl]-4-amine135-68-283 % similar 4-Chloroaniline hydrochloride20265-96-783 % similar 4-(4-Chlorophenoxy)benzenamine101-79-171 % similar 1,4-Dichlorobenzene106-46-760 % similar P-Phenylenediamine106-50-360 % similar 4-Amino-2,4′-dichlorodiphenyl ether24900-79-652 % similar 4,4′-Dichlorobiphenyl2050-68-250 % similar 3,5-Diaminochlorobenzene33786-89-950 % similar

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

Same formula

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 3-Chloro-4-methylpyridine72093-04-0

Elsewhere

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