chempirical

2,4-Dichlorobenzotrichloride

C7H3Cl5CAS 13014-18-1264.35 g/mol

Open in Covalent MOL file
ClClClClCl
Alkyl halideAryl halide

Properties

Molecular formula
C7H3Cl5
Molar mass
264.35 g/mol
Exact mass
261.8677 Da
Melting point
47–48 °C
Boiling point
146–151 °C (at 12 Torr)
logP
4.82Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
13014-18-1
SMILES
Clc1ccc(C(Cl)(Cl)Cl)c(Cl)c1
InChIKey
KZSNBJMYJWDVTK-UHFFFAOYSA-N
InChI
InChI=1S/C7H3Cl5/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H

Weigh it out

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

Names and synonyms

8 names
  • Benzene, 2,4-dichloro-1-(trichloromethyl)-
  • Toluene, α,α,α,2,4-pentachloro-
  • 2,4-Dichloro-1-(trichloromethyl)benzene
  • 2,4-Dichlorophenyltrichloromethane
  • 2,4,α,α,α-Pentachlorotoluene
  • 1,3-Dichloro-4-(trichloromethyl)benzene
  • α,α,α,2,4-Pentachlorotoluene
  • NSC 403840

Work with 2,4-Dichlorobenzotrichloride

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

2,4-Dichlorobenzotrifluoride320-60-561 % similar O-Chlorobenzotrichloride2136-89-258 % similar 1,2,4-Trichlorobenzene120-82-152 % similar 1,4-Dichloro-2-(trifluoromethyl)benzene320-50-345 % similar 2,4-Dichlorobenzenethiol1122-41-445 % similar 1-Bromo-2,4-dichlorobenzene1193-72-245 % similar 2,4-Dichlorophenol120-83-245 % similar 2,4-Dichlorofluorobenzene1435-48-945 % similar

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

Same formula

1,2-Dichloro-4-(trichloromethyl)benzene13014-24-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook