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Details

Stereochemistry ACHIRAL
Molecular Formula C9H9ClO2
Molecular Weight 184.62
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4-Xylyl chloroformate

SMILES

CC1=C(C)C=C(OC(Cl)=O)C=C1

InChI

InChIKey=WRQLVPIQNOJFQT-UHFFFAOYSA-N
InChI=1S/C9H9ClO2/c1-6-3-4-8(5-7(6)2)12-9(10)11/h3-5H,1-2H3

HIDE SMILES / InChI

Molecular Formula C9H9ClO2
Molecular Weight 184.62
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 19:44:09 GMT 2025
Edited
by admin
on Tue Apr 01 19:44:09 GMT 2025
Record UNII
KSP52V93AP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,4-Xylyl chloroformate
Systematic Name English
3,4-Dimethylphenyl carbonochloridate
Preferred Name English
Formic acid, chloro-, 3,4-xylyl ester
Systematic Name English
3,4-Dimethylphenyl chloroformate
Systematic Name English
Carbonochloridic acid, 3,4-dimethylphenyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
22026200
Created by admin on Tue Apr 01 19:44:09 GMT 2025 , Edited by admin on Tue Apr 01 19:44:09 GMT 2025
PRIMARY
EPA CompTox
DTXSID80189589
Created by admin on Tue Apr 01 19:44:09 GMT 2025 , Edited by admin on Tue Apr 01 19:44:09 GMT 2025
PRIMARY
CAS
36018-20-9
Created by admin on Tue Apr 01 19:44:09 GMT 2025 , Edited by admin on Tue Apr 01 19:44:09 GMT 2025
PRIMARY
ECHA (EC/EINECS)
252-839-9
Created by admin on Tue Apr 01 19:44:09 GMT 2025 , Edited by admin on Tue Apr 01 19:44:09 GMT 2025
PRIMARY
FDA UNII
KSP52V93AP
Created by admin on Tue Apr 01 19:44:09 GMT 2025 , Edited by admin on Tue Apr 01 19:44:09 GMT 2025
PRIMARY