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Details

Stereochemistry ACHIRAL
Molecular Formula C8H7Cl3
Molecular Weight 209.5
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(Chloromethyl)-4-(dichloromethyl)benzene

SMILES

ClCC1=CC=C(C=C1)C(Cl)Cl

InChI

InChIKey=VQJFMEVGEQWOFW-UHFFFAOYSA-N
InChI=1S/C8H7Cl3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,8H,5H2

HIDE SMILES / InChI

Molecular Formula C8H7Cl3
Molecular Weight 209.5
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 Wed Apr 02 11:35:08 GMT 2025
Edited
by admin
on Wed Apr 02 11:35:08 GMT 2025
Record UNII
9C89FK3LWL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(Chloromethyl)-4-(dichloromethyl)benzene
Systematic Name English
p-Xylene, ?,?,??-trichloro-
Preferred Name English
?,?,??-Trichloro-p-xylene
Common Name English
Benzene, 1-(chloromethyl)-4-(dichloromethyl)-
Systematic Name English
Code System Code Type Description
CAS
7398-44-9
Created by admin on Wed Apr 02 11:35:08 GMT 2025 , Edited by admin on Wed Apr 02 11:35:08 GMT 2025
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FDA UNII
9C89FK3LWL
Created by admin on Wed Apr 02 11:35:08 GMT 2025 , Edited by admin on Wed Apr 02 11:35:08 GMT 2025
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PUBCHEM
81883
Created by admin on Wed Apr 02 11:35:08 GMT 2025 , Edited by admin on Wed Apr 02 11:35:08 GMT 2025
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EPA CompTox
DTXSID20224741
Created by admin on Wed Apr 02 11:35:08 GMT 2025 , Edited by admin on Wed Apr 02 11:35:08 GMT 2025
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ECHA (EC/EINECS)
230-992-2
Created by admin on Wed Apr 02 11:35:08 GMT 2025 , Edited by admin on Wed Apr 02 11:35:08 GMT 2025
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