U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C8H9Cl
Molecular Weight 140.61
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.-CHLORO-O-XYLENE

SMILES

CC1=C(CCl)C=CC=C1

InChI

InChIKey=VQRBXYBBGHOGFT-UHFFFAOYSA-N
InChI=1S/C8H9Cl/c1-7-4-2-3-5-8(7)6-9/h2-5H,6H2,1H3

HIDE SMILES / InChI

Molecular Formula C8H9Cl
Molecular Weight 140.61
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 Sat Dec 16 04:18:45 GMT 2023
Edited
by admin
on Sat Dec 16 04:18:45 GMT 2023
Record UNII
EQT3V044TW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.ALPHA.-CHLORO-O-XYLENE
Common Name English
O-XYLENE, .ALPHA.-CHLORO-
Common Name English
O-METHYLBENZYL CHLORIDE
Common Name English
1-METHYL-2-CHLOROMETHYLBENZENE
Systematic Name English
O-XYLYL CHLORIDE [MI]
Common Name English
1-(CHLOROMETHYL)-2-METHYLBENZENE
Systematic Name English
O-CHLOROMETHYLTOLUENE
Common Name English
2-(CHLOROMETHYL)TOLUENE
Systematic Name English
O-XYLYL-.ALPHA.-CHLORIDE
Common Name English
2-METHYLBENZYL CHLORIDE
Systematic Name English
.OMEGA.-CHLORO-O-XYLENE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID5044441
Created by admin on Sat Dec 16 04:18:45 GMT 2023 , Edited by admin on Sat Dec 16 04:18:45 GMT 2023
PRIMARY
CAS
552-45-4
Created by admin on Sat Dec 16 04:18:45 GMT 2023 , Edited by admin on Sat Dec 16 04:18:45 GMT 2023
PRIMARY
HSDB
2681
Created by admin on Sat Dec 16 04:18:45 GMT 2023 , Edited by admin on Sat Dec 16 04:18:45 GMT 2023
PRIMARY
MERCK INDEX
m11559
Created by admin on Sat Dec 16 04:18:45 GMT 2023 , Edited by admin on Sat Dec 16 04:18:45 GMT 2023
PRIMARY Merck Index
ECHA (EC/EINECS)
209-013-8
Created by admin on Sat Dec 16 04:18:45 GMT 2023 , Edited by admin on Sat Dec 16 04:18:45 GMT 2023
PRIMARY
PUBCHEM
11093
Created by admin on Sat Dec 16 04:18:45 GMT 2023 , Edited by admin on Sat Dec 16 04:18:45 GMT 2023
PRIMARY
FDA UNII
EQT3V044TW
Created by admin on Sat Dec 16 04:18:45 GMT 2023 , Edited by admin on Sat Dec 16 04:18:45 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY