2,4-Bis(chloromethyl)-1,3,5-trimethylbenzene

C₁₁H₁₄Cl₂CAS 1585-17-7217.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₄Cl₂
Molar mass: 217.13 g/mol
Exact mass: 216.0473 Da
logP: 4.09Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

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

1585-17-7

SMILES

CC1=CC(=C(C(=C1CCl)C)CCl)C

InChIKey

JMNDJDCLOQRCJV-UHFFFAOYSA-N

InChI

InChI=1S/C11H14Cl2/c1-7-4-8(2)11(6-13)9(3)10(7)5-12/h4H,5-6H2,1-3H3

Weigh it out

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

Names and synonyms

1 names

2,4-Bis(chloromethyl)mesitylene

Work with 2,4-Bis(chloromethyl)-1,3,5-trimethylbenzene

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

2,4,6-Trimethylbenzyl chloride1585-16-660 % similar 2,4,6-Trimethyl-1,3-benzenedimethanethiol10074-13-254 % similar Pentamethylbenzyl chloride484-65-152 % similar 2,6-Dimethylbenzyl chloride5402-60-850 % similar Pentamethylbenzene700-12-943 % similar 3,4-Dimethylbenzyl chloride102-46-541 % similar 2,5-Dimethylbenzyl chloride824-45-340 % similar 1-(Chloromethyl)-2-methylnaphthalene6626-23-939 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook