2,4,6-Trimethylbenzyl chloride

C10H13ClCAS 1585-16-6168.66 g/mol

Open in Covalent MOL file
Cl
Alkyl halide

Properties

Molecular formula
C10H13Cl
Molar mass
168.66 g/mol
Exact mass
168.0706 Da
Melting point
37 °C
Boiling point
119 °C (at 15 Torr)
logP
3.35Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
1585-16-6
SMILES
Cc1cc(C)c(CCl)c(C)c1
InChIKey
UNRGEIXQCZHICP-UHFFFAOYSA-N
InChI
InChI=1S/C10H13Cl/c1-7-4-8(2)10(6-11)9(3)5-7/h4-5H,6H2,1-3H3

Weigh it out

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Names and synonyms

11 names
  • Benzene, 2-(chloromethyl)-1,3,5-trimethyl-
  • 2-(Chloromethyl)-1,3,5-trimethylbenzene
  • 1-Chloromethyl-2,4,6-trimethylbenzene
  • α2-Chloroisodurene
  • (Chloromethyl)mesitylene
  • Mesitylmethyl chloride
  • o,o,p-Trimethylbenzyl chloride
  • α-Chloroisodurene
  • NSC 405484
  • 1,3,5-Trimethyl-2-(chloromethyl)benzene
  • 2-Chloromethyl-1,3,5-trimethylbenzene

Work with 2,4,6-Trimethylbenzyl 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

1,3,5-Trimethyl-2-((2,4,6-trimethylphenyl)methyl)benzene733-07-361 % similar 2,4-Bis(chloromethyl)-1,3,5-trimethylbenzene1585-17-760 % similar 2,6-Dimethylbenzyl chloride5402-60-856 % similar 2,4,6-Trimethylbenzenemethanethiol21411-42-754 % similar 2,4,6-Trimethylbenzyl alcohol4170-90-554 % similar 2,4-Dimethylbenzyl chloride824-55-554 % similar 3,5-Dimethylbenzyl chloride2745-54-252 % similar 2,5-Dimethylbenzyl chloride824-45-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Butyl-4-chlorobenzene15499-27-1 4-Isopropylbenzyl chloride2051-18-5 1-Chloro-4-(1,1-dimethylethyl)benzene3972-56-3 1-Chloro-4-phenylbutane4830-93-7 Neophyl chloride515-40-2 1-(1-Chloroethyl)-2,3-dimethylbenzene60907-88-2

Elsewhere

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