1-(Dichloromethyl)-2-(trichloromethyl)benzene

C₈H₅Cl₅CAS 2741-57-3278.38 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₅Cl₅
Molar mass: 278.38 g/mol
Exact mass: 275.8834 Da
Melting point: 48 °C
logP: 4.99Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Identifiers

CAS number

2741-57-3

SMILES

ClC(Cl)c1ccccc1C(Cl)(Cl)Cl

InChIKey

UXMNSLMVCBBGCW-UHFFFAOYSA-N

InChI

InChI=1S/C8H5Cl5/c9-7(10)5-3-1-2-4-6(5)8(11,12)13/h1-4,7H

Weigh it out

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

Names and synonyms

4 names

Benzene, 1-(dichloromethyl)-2-(trichloromethyl)-
o-Xylene, α,α,α,α′,α′-pentachloro-
α,α,α,α′,α′-Pentachloro-o-xylene
NSC 155825

Work with 1-(Dichloromethyl)-2-(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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-(Dichloromethyl)-2-(trifluoromethyl)benzene707-72-261 % similar 1,2-Bis(dichloromethyl)benzene25641-99-057 % similar O-Chlorobenzotrichloride2136-89-246 % similar 1-(Dichloromethyl)-2-fluorobenzene320-65-045 % similar 1-Fluoro-2-(trichloromethyl)benzene488-98-245 % similar Benzotrichloride98-07-737 % similar Benzal chloride98-87-337 % similar 5-Chlorodibenzosuberane1210-33-931 % similar

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

Elsewhere

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