CAS 94-99-5|2,4-dichloro-1-(chloromethyl)benzene|2,4-dichloro-1-(chloromethyl)benzene|2,4-dichlorobenzylchloride|α,2,4-Trichlorotoluene|2,4-二氯氯苄|2,4-Dichlorobenzyl chloride|α,2,4-三氯甲苯|2,4-...

General Information

Structure

Molecular Formula

C₇H₅Cl₃

Molecular Mass

195.4736

Exact Mass

193.9456832

Charge

InChI

InChI=1S/C7H5Cl3/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4H2

InChIKey

IRSVDHPYXFLLDS-UHFFFAOYSA-N

Canonic Smiles

ClCc1ccc(cc1Cl)Cl

Isomeric Smiles

ClCc1c(cc(cc1)Cl)Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.7685773

LogD (pH = 7.4)

3.7685773

Log P

3.7685773

Molar Refractivity

45.5345

Polarizability

17.790812

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

2,4-dichloro-1-(chloromethyl)benzeneα,2,4-Trichlorotoluene2,4-二氯氯苄2,4-Dichlorobenzyl chlorideα,2,4-三氯甲苯2,4-Dichlorobenzyl chloride1-(Chloromethyl)-2,4-dichlorobenzenealpha,2,4-Trichlorotoluene2,4-Dichloro-1-(chloromethyl)benzene2,4,α-TrichlorotolueneNSC 4068921-Chloromethyl-2,4-dichlorobenzeneα,2,4-Trichloro-toluene2,4-二氯苄基氯

IUPAC name

2,4-dichloro-1-(chloromethyl)benzene

IUPAC Traditional name

2,4-dichlorobenzylchloride

Names and Identifiers

Registration numbers

CAS Number

94-99-5

MDL Number

MFCD00000895

PubChem CID

7212