chempirical

3-(Trichlorovinyl)anilinium chloride

C8H7Cl4NCAS 81972-27-2258.95 g/mol

Open in Covalent MOL file
HClNH2ClClCl
AlkenePrimary amineVinyl halide

Properties

Molecular formula
C8H7Cl4N
Molar mass
258.95 g/mol
Exact mass
256.9333 Da
logP
4.03Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
81972-27-2
SMILES
Cl.Nc1cccc(C(Cl)=C(Cl)Cl)c1
InChIKey
RXKNTFGQXQGYDW-UHFFFAOYSA-N
InChI
InChI=1S/C8H6Cl3N.ClH/c9-7(8(10)11)5-2-1-3-6(12)4-5;/h1-4H,12H2;1H

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Names and synonyms

3 names
  • Benzenamine, 3-(1,2,2-trichloroethenyl)-, hydrochloride (1:1)
  • Benzenamine, 3-(trichloroethenyl)-, hydrochloride
  • 3-(1,2,2-Trichlorovinyl)aniline hydrochloride

Work with 3-(Trichlorovinyl)anilinium chloride

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

m-Phenylenediamine hydrochloride541-69-552 % similar 3-Aminobenzoic acid hydrochloride15151-51-651 % similar 3-Chloroaniline hydrochloride141-85-548 % similar 3,3'-Diaminobenzophenone611-79-047 % similar 3-Amino-N-methylbenzamide25900-61-245 % similar 3-Aminobenzophenone2835-78-143 % similar 3-Aminobenzamide3544-24-943 % similar N,N-Dimethyl-m-phenylenediamine dihydrochloride3575-32-443 % similar

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

Elsewhere

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