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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H17Cl
Molecular Weight 196.716
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (Chloromethyl)pentamethylbenzene

SMILES

CC1=C(C)C(C)=C(CCl)C(C)=C1C

InChI

InChIKey=CXUAEBDTJFKMBV-UHFFFAOYSA-N
InChI=1S/C12H17Cl/c1-7-8(2)10(4)12(6-13)11(5)9(7)3/h6H2,1-5H3

HIDE SMILES / InChI

Molecular Formula C12H17Cl
Molecular Weight 196.716
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 20:26:53 GMT 2025
Edited
by admin
on Tue Apr 01 20:26:53 GMT 2025
Record UNII
29A2Z83GHU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(Chloromethyl)pentamethylbenzene
Systematic Name English
NSC-98359
Preferred Name English
Benzene, 1-(chloromethyl)-2,3,4,5,6-pentamethyl-
Systematic Name English
Benzene, (chloromethyl)pentamethyl-
Systematic Name English
2,3,4,5,6-Pentamethylbenzyl chloride
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID0060066
Created by admin on Tue Apr 01 20:26:53 GMT 2025 , Edited by admin on Tue Apr 01 20:26:53 GMT 2025
PRIMARY
PUBCHEM
68087
Created by admin on Tue Apr 01 20:26:53 GMT 2025 , Edited by admin on Tue Apr 01 20:26:53 GMT 2025
PRIMARY
CAS
484-65-1
Created by admin on Tue Apr 01 20:26:53 GMT 2025 , Edited by admin on Tue Apr 01 20:26:53 GMT 2025
PRIMARY
ECHA (EC/EINECS)
207-608-7
Created by admin on Tue Apr 01 20:26:53 GMT 2025 , Edited by admin on Tue Apr 01 20:26:53 GMT 2025
PRIMARY
NSC
98359
Created by admin on Tue Apr 01 20:26:53 GMT 2025 , Edited by admin on Tue Apr 01 20:26:53 GMT 2025
PRIMARY
FDA UNII
29A2Z83GHU
Created by admin on Tue Apr 01 20:26:53 GMT 2025 , Edited by admin on Tue Apr 01 20:26:53 GMT 2025
PRIMARY