chempirical

2,6-Dichlorobenzylidene chloride

C7H4Cl4CAS 81-19-6229.91 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
124–126 °C (at 16 Torr)
logP
4.47Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
81-19-6
SMILES
Clc1cccc(Cl)c1C(Cl)Cl
InChIKey
QQPXXHAEIGVZKQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H4Cl4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,7H

Weigh it out

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

Names and synonyms

7 names
  • Benzene, 1,3-dichloro-2-(dichloromethyl)-
  • Toluene, α,α,2,6-tetrachloro-
  • 1,3-Dichloro-2-(dichloromethyl)benzene
  • α,α,2,6-Tetrachlorotoluene
  • 2,6-Dichlorobenzal chloride
  • 2,6,α,α-Tetrachlorotoluene
  • NSC 79866

Work with 2,6-Dichlorobenzylidene 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

1,2-Dichlorobenzene95-50-147 % similar 2,6-Dichloro-α-methylbenzenemethanol53066-19-646 % similar 1,2,3-Trichlorobenzene87-61-643 % similar 1,2-Bis(dichloromethyl)benzene25641-99-041 % similar 1-(Dichloromethyl)-3-fluorobenzene402-64-241 % similar 2,6-Dichlorotoluene118-69-439 % similar 1,3-Dichloro-2-iodobenzene19230-28-539 % similar 2-Bromo-1,3-dichlorobenzene19393-92-139 % similar

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

Same formula

O-Chlorobenzotrichloride2136-89-2 4-Chlorobenzotrichloride5216-25-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook