chempirical

4-Chlorobenzotrichloride

C7H4Cl4CAS 5216-25-1229.91 g/mol

Open in Covalent MOL file
ClClClCl
Alkyl halideAryl halide

Properties

Molecular formula
C7H4Cl4
Molar mass
229.91 g/mol
Exact mass
227.9067 Da
Boiling point
245 °C
logP
4.17Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
5216-25-1
SMILES
Clc1ccc(C(Cl)(Cl)Cl)cc1
InChIKey
LVZPKYYPPLUECL-UHFFFAOYSA-N
InChI
InChI=1S/C7H4Cl4/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H

Weigh it out

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

Names and synonyms

12 names
  • Benzene, 1-chloro-4-(trichloromethyl)-
  • Toluene, p,α,α,α-tetrachloro-
  • 1-Chloro-4-(trichloromethyl)benzene
  • p-Chlorobenzotrichloride
  • p-Chlorophenyltrichloromethane
  • 4,α,α,α-Tetrachlorotoluene
  • p,α,α,α-Tetrachlorotoluene
  • α,α,α,4-Tetrachlorotoluene
  • p-(Trichloromethyl)chlorobenzene
  • α,α,α,p-Tetrachlorotoluene
  • α,α,α-Trichloro-4-chlorotoluene
  • p-Chloro-α,α,α-trichlorotoluene

Work with 4-Chlorobenzotrichloride

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

1,4-Bis(trichloromethyl)benzene68-36-071 % similar 1,4-Dichlorobenzene106-46-753 % similar Benzotrichloride98-07-752 % similar 1-Chloro-4-(1,1-dimethylethyl)benzene3972-56-352 % similar 1-Fluoro-4-(trichloromethyl)benzene402-42-652 % similar Parachlorobenzotrifluoride98-56-652 % similar Dicofol115-32-250 % similar 1,3-Bis(trichloromethyl)benzene881-99-250 % similar

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

Same formula

O-Chlorobenzotrichloride2136-89-2 2,6-Dichlorobenzylidene chloride81-19-6

Elsewhere

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