2-Chloro-4-(chloromethyl)-1-methylbenzene

C₈H₈Cl₂CAS 2719-40-6175.05 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₈H₈Cl₂
Molar mass: 175.05 g/mol
Exact mass: 174.0003 Da
Boiling point: 124 °C (at 20 Torr)
logP: 3.39Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Identifiers

CAS number

2719-40-6

SMILES

Cc1ccc(CCl)cc1Cl

InChIKey

JTMYLQKKQFLIGV-UHFFFAOYSA-N

InChI

InChI=1S/C8H8Cl2/c1-6-2-3-7(5-9)4-8(6)10/h2-4H,5H2,1H3

Weigh it out

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

Names and synonyms

6 names

Benzene, 2-chloro-4-(chloromethyl)-1-methyl-
p-Xylene, α4,2-dichloro-
3-Chloro-4-methylbenzyl chloride
3-Chloro-1-(chloromethyl)-4-methylbenzene
α4,2-Dichloro-p-xylene
1-Methyl-2-chloro-4-chloromethylbenzene

Work with 2-Chloro-4-(chloromethyl)-1-methylbenzene

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

3,4-Dimethylbenzyl chloride102-46-567 % similar 3-Chloro-4-methylbenzylamine67952-93-663 % similar 3,4-Dichlorobenzyl chloride102-47-663 % similar Chloro-P-xylene95-72-754 % similar 2,4-Dichlorotoluene95-73-852 % similar 2-Chloro-4-iodo-1-methylbenzene83846-48-450 % similar 4-(Chloromethyl)-1-methyl-2-nitrobenzene84540-59-049 % similar 2-Chloro-4-fluoro-1-methylbenzene452-73-348 % similar

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

Same formula

2,5-Dichloro-P-xylene1124-05-6 α,Α′-Dichloro-O-xylene612-12-4 Xylylene dichloride623-25-6 1,3-Bis(chloromethyl)benzene626-16-4

Elsewhere

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