chempirical

2,4,5-Trichloroaniline

C6H4Cl3NCAS 636-30-6196.46 g/mol

Open in Covalent MOL file
H2NClClCl
Aryl halidePrimary amine

Properties

Molecular formula
C6H4Cl3N
Molar mass
196.46 g/mol
Exact mass
194.9409 Da
Melting point
96.5 °C
Boiling point
270 °C
logP
3.23Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
636-30-6
SMILES
Nc1cc(Cl)c(Cl)cc1Cl
InChIKey
GUMCAKKKNKYFEB-UHFFFAOYSA-N
InChI
InChI=1S/C6H4Cl3N/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2

Weigh it out

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

Names and synonyms

7 names
  • Benzenamine, 2,4,5-trichloro-
  • Aniline, 2,4,5-trichloro-
  • 2,4,5-Trichlorobenzenamine
  • 2,4,5-Trichloraniline
  • NSC 64139
  • 2,4,5-Trichloro-phenylamine
  • Benzenamine, 2,4,5-trichloro-3-fluoro-

Work with 2,4,5-Trichloroaniline

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

2,5-Dichloro-1,4-benzenediamine20103-09-788 % similar 4,5-Dichloro-1,2-phenylenediamine5348-42-576 % similar 2,2′,5,5′-Tetrachlorobenzidine15721-02-570 % similar 2-Chloro-5-methyl-1,4-benzenediamine5307-03-961 % similar 1,2,4,5-Tetrachlorobenzene95-94-356 % similar 2,4-Dichloro-5-methoxybenzenamine98446-49-256 % similar 3,3'-Dichlorobenzidine91-94-152 % similar 4-Chloro-M-phenylenediamine5131-60-250 % similar

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

Same formula

2,3,4-Trichloroaniline634-67-3 3,4,5-Trichloroaniline634-91-3 2,4,6-Trichloroaniline634-93-5

Elsewhere

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