chempirical

1,2-Dichloro-4-(trichloromethyl)benzene

C7H3Cl5CAS 13014-24-9264.35 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
25.8 °C
Boiling point
283.1 °C
logP
4.82Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
13014-24-9
SMILES
Clc1ccc(C(Cl)(Cl)Cl)cc1Cl
InChIKey
ATYLRBXENHNROH-UHFFFAOYSA-N
InChI
InChI=1S/C7H3Cl5/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H

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Names and synonyms

8 names
  • 3,4-Dichlorotrichloromethylbenzene
  • Benzene, 1,2-dichloro-4-(trichloromethyl)-
  • Toluene, α,α,α,3,4-pentachloro-
  • 3,4-Dichlorophenyltrichloromethane
  • α,α,α,3,4-Pentachlorotoluene
  • 3,4-Dichlorobenzotrichloride
  • 3,4-α,α,α-Pentachlorotoluene
  • NSC 163901

Work with 1,2-Dichloro-4-(trichloromethyl)benzene

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

3,4-Dichlorobenzotrifluoride328-84-758 % similar 1,3-Bis(trichloromethyl)benzene881-99-257 % similar 1,4-Bis(trichloromethyl)benzene68-36-052 % similar 4-Chlorobenzotrichloride5216-25-148 % similar 2,3-Dichloro-5-(trichloromethyl)pyridine69045-83-647 % similar 1-Fluoro-3-(trichloromethyl)benzene401-77-446 % similar 1-(Trichloromethyl)-3-(trifluoromethyl)benzene16766-90-845 % similar O-Chlorobenzotrichloride2136-89-244 % similar

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

Same formula

2,4-Dichlorobenzotrichloride13014-18-1

Elsewhere

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