O-Chlorobenzotrichloride

C₇H₄Cl₄CAS 2136-89-2229.91 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₄Cl₄
Molar mass: 229.91 g/mol
Exact mass: 227.9067 Da
Melting point: 29.4 °C
Boiling point: 264.3 °C
logP: 4.17Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

2136-89-2

SMILES

Clc1ccccc1C(Cl)(Cl)Cl

InChIKey

MFHPYLFZSCSNST-UHFFFAOYSA-N

InChI

InChI=1S/C7H4Cl4/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H

Weigh it out

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

Names and synonyms

8 names

Benzene, 1-chloro-2-(trichloromethyl)-
Toluene, o,α,α,α-tetrachloro-
1-Chloro-2-(trichloromethyl)benzene
o-Chlorophenyltrichloromethane
2-Chlorobenzotrichloride
o-Chlorobenzylidyne chloride
α,α,α,2-Tetrachlorotoluene
NSC 59736

Work with O-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

2,4-Dichlorobenzotrichloride13014-18-158 % similar 2-Chlorobenzotrifluoride88-16-456 % similar 2-Chlorotrityl chloride42074-68-056 % similar 1-Fluoro-2-(trichloromethyl)benzene488-98-250 % similar 1,2-Dichlorobenzene95-50-150 % similar 1-(Dichloromethyl)-2-(trichloromethyl)benzene2741-57-346 % similar 1,3-Bis(trichloromethyl)benzene881-99-246 % similar 1,2-Dichloro-4-(trichloromethyl)benzene13014-24-944 % similar

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

Same formula

4-Chlorobenzotrichloride5216-25-1 2,6-Dichlorobenzylidene chloride81-19-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook