CAS 1585-17-7|2,4-Bis(chloromethyl)-1,3,5-trimethylbenzene 98+%|2,4-bis(chloromethyl)-1,3,5-trimethylbenzene|2,4-Bis(chloromethyl)mesitylene|2,4-bis(chloromethyl)-1,3,5-trimethylbenzene|2,4-Bis(chlo...

General Information

Structure

Molecular Formula

C₁₁H₁₄Cl₂

Molecular Mass

217.13486

Exact Mass

216.04725581

Charge

InChI

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

InChIKey

JMNDJDCLOQRCJV-UHFFFAOYSA-N

Canonic Smiles

ClCc1c(C)cc(c(c1C)CCl)C

Isomeric Smiles

c1c(c(c(c(c1C)CCl)C)CCl)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.687994

LogD (pH = 7.4)

4.687994

Log P

4.687994

Molar Refractivity

60.9154

Polarizability

22.930685

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

2,4-Bis(chloromethyl)-1,3,5-trimethylbenzene 98+%2,4-Bis(chloromethyl)mesitylene2,4-Bis(chloromethyl)-1,3,5-trimethylbenzene2,4-di(chloromethyl)-1,3,5-trimethylbenzene2,4-双(氯甲基)三甲基苯2,4-Bis(chloromethyl)-1,3,5-trimethylbenzene2,4-双(氯甲基)-1,3,5-三甲苯2,4-双(氯甲基)均三甲基苯2,4-Bis(chloromethyl)-1,3,5-trimethylbenzenealpha(2),alpha(4)-Dichloro-1,2,3,4,5-pentamethylbenzene2,4-Bis(chloromethyl)mesitylene

IUPAC Traditional name

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

IUPAC name

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

Names and Identifiers

Registration numbers

MDL Number

MFCD00013681

CAS Number

1585-17-7

Beilstein Number

2520798