2,4,6-Trichloroaniline

C₆H₄Cl₃NCAS 634-93-5196.45 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₄Cl₃N
Molar mass: 196.45 g/mol
Exact mass: 194.9409 Da
Melting point: 78.5 °C
Boiling point: 262 °C (at 746 Torr)
logP: 3.23Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

634-93-5

SMILES

Nc1c(Cl)cc(Cl)cc1Cl

InChIKey

NATVSFWWYVJTAZ-UHFFFAOYSA-N

InChI

InChI=1S/C6H4Cl3N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2

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Names and synonyms

7 names

Benzenamine, 2,4,6-trichloro-
Aniline, 2,4,6-trichloro-
2,4,6-Trichlorobenzenamine
Sym-Trichloroaniline
2,4,6-Trichloraniline
NSC 2114
2,4,6-Trichlorophenylamine

Work with 2,4,6-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Bromo-4,6-dichloroaniline697-86-967 % similar 2,4-Dichloro-6-iodobenzenamine697-90-567 % similar 2,6-Dichloro-1,4-benzenediamine609-20-162 % similar 2,6-Dichloro-4-fluorobenzenamine344-19-457 % similar 4-Bromo-2,6-dichloroaniline697-88-157 % similar 2,4-Dichloro-6-nitroaniline2683-43-453 % similar 3,5-Dichloroanthranilic acid2789-92-653 % similar 1,2,3,5-Tetrachlorobenzene634-90-252 % 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 2,4,5-Trichloroaniline636-30-6

Elsewhere

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