3,5-Dimethylbenzyl chloride

C₉H₁₁ClCAS 2745-54-2154.64 g/mol

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Properties

Molecular formula: C₉H₁₁Cl
Molar mass: 154.64 g/mol
Exact mass: 154.0549 Da
Boiling point: 250 °C (at 750 Torr)
logP: 3.04Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

2745-54-2

SMILES

Cc1cc(C)cc(CCl)c1

InChIKey

FYNVRRYQTHUESZ-UHFFFAOYSA-N

InChI

InChI=1S/C9H11Cl/c1-7-3-8(2)5-9(4-7)6-10/h3-5H,6H2,1-2H3

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Names and synonyms

6 names

Benzene, 1-(chloromethyl)-3,5-dimethyl-
Mesitylene, α-chloro-
1-(Chloromethyl)-3,5-dimethylbenzene
α-Chloromesitylene
1,3-Dimethyl-5-chloromethylbenzene
3,5-Dimethyl(chloromethyl)benzene

Work with 3,5-Dimethylbenzyl 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

3-Methylbenzyl chloride620-19-960 % similar 4-Methylbenzyl chloride104-82-557 % similar 2,4,6-Trimethylbenzyl chloride1585-16-652 % similar 3,5-Dimethylbenzeneacetonitrile39101-54-752 % similar Mesitylene108-67-850 % similar 3,5-Dimethylbenzyl bromide27129-86-850 % similar 3,5-Dimethylbenzyl alcohol27129-87-950 % similar 3,5-Dimethylbenzenemethanamine78710-55-150 % similar

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

Same formula

3,4-Dimethylbenzyl chloride102-46-5 1-Chloro-3-phenylpropane104-52-9 4-Ethylbenzyl chloride1467-05-6 2-Chloromesitylene1667-04-5 2,6-Dimethylbenzyl chloride5402-60-8 2,5-Dimethylbenzyl chloride824-45-3 2,4-Dimethylbenzyl chloride824-55-5 (1-Chloro-1-methylethyl)benzene934-53-2

Elsewhere

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