3,6-Bis(chloromethyl)toluene

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H10Cl2
Molecular Weight	189.082
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,6-Bis(chloromethyl)toluene

Structure Search

SMILES

CC1=CC(CCl)=CC=C1CCl

InChI

InChIKey=AUZOUQPAAITHQE-UHFFFAOYSA-N

InChI=1S/C9H10Cl2/c1-7-4-8(5-10)2-3-9(7)6-11/h2-4H,5-6H2,1H3

HIDE SMILES / InChI

Molecular Formula	C9H10Cl2
Molecular Weight	189.082
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 16:32:07 GMT 2025` Edited by `admin` on `Tue Apr 01 16:32:07 GMT 2025`
Record UNII	YME6XL2MS2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,4-Bis(chloromethyl)-2-methylbenzene

Preferred Name

English

3,6-Bis(chloromethyl)toluene

Systematic Name

English

Benzene, 1,4-bis(chloromethyl)-2-methyl-

Systematic Name

English

Code System Code Type Description

FDA UNII

YME6XL2MS2

Created by admin on Tue Apr 01 16:32:07 GMT 2025 , Edited by admin on Tue Apr 01 16:32:07 GMT 2025

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EPA CompTox

DTXSID00178571

Created by admin on Tue Apr 01 16:32:07 GMT 2025 , Edited by admin on Tue Apr 01 16:32:07 GMT 2025

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CAS

2387-18-0

Created by admin on Tue Apr 01 16:32:07 GMT 2025 , Edited by admin on Tue Apr 01 16:32:07 GMT 2025

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PUBCHEM

75434

Created by admin on Tue Apr 01 16:32:07 GMT 2025 , Edited by admin on Tue Apr 01 16:32:07 GMT 2025

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ECHA (EC/EINECS)

219-211-6

Created by admin on Tue Apr 01 16:32:07 GMT 2025 , Edited by admin on Tue Apr 01 16:32:07 GMT 2025

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