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Details

Stereochemistry ACHIRAL
Molecular Formula C8H6ClF3
Molecular Weight 194.581
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(Chloromethyl)benzotrifluoride

SMILES

FC(F)(F)C1=CC(CCl)=CC=C1

InChI

InChIKey=XGASTRVQNVVYIZ-UHFFFAOYSA-N
InChI=1S/C8H6ClF3/c9-5-6-2-1-3-7(4-6)8(10,11)12/h1-4H,5H2

HIDE SMILES / InChI

Molecular Formula C8H6ClF3
Molecular Weight 194.581
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 12:22:25 GMT 2023
Edited
by admin
on Sat Dec 16 12:22:25 GMT 2023
Record UNII
XG8S4F46BH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(Chloromethyl)benzotrifluoride
Systematic Name English
3-Trifluoromethylbenzyl chloride
Systematic Name English
Benzene, 1-(chloromethyl)-3-(trifluoromethyl)-
Systematic Name English
α-Chloro-3-(trifluoromethyl)toluene
Systematic Name English
NSC-5227
Code English
1-(Chloromethyl)-3-(trifluoromethyl)benzene
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID0061036
Created by admin on Sat Dec 16 12:22:25 GMT 2023 , Edited by admin on Sat Dec 16 12:22:25 GMT 2023
PRIMARY
CAS
705-29-3
Created by admin on Sat Dec 16 12:22:25 GMT 2023 , Edited by admin on Sat Dec 16 12:22:25 GMT 2023
PRIMARY
PUBCHEM
69716
Created by admin on Sat Dec 16 12:22:25 GMT 2023 , Edited by admin on Sat Dec 16 12:22:25 GMT 2023
PRIMARY
FDA UNII
XG8S4F46BH
Created by admin on Sat Dec 16 12:22:25 GMT 2023 , Edited by admin on Sat Dec 16 12:22:25 GMT 2023
PRIMARY
NSC
5227
Created by admin on Sat Dec 16 12:22:25 GMT 2023 , Edited by admin on Sat Dec 16 12:22:25 GMT 2023
PRIMARY
ECHA (EC/EINECS)
211-884-4
Created by admin on Sat Dec 16 12:22:25 GMT 2023 , Edited by admin on Sat Dec 16 12:22:25 GMT 2023
PRIMARY