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Details

Stereochemistry ACHIRAL
Molecular Formula C9H6F3N
Molecular Weight 185.1458
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(Trifluoromethyl)phenylacetonitrile

SMILES

FC(F)(F)C1=CC=C(CC#N)C=C1

InChI

InChIKey=QNKOCFJZJWOXDE-UHFFFAOYSA-N
InChI=1S/C9H6F3N/c10-9(11,12)8-3-1-7(2-4-8)5-6-13/h1-4H,5H2

HIDE SMILES / InChI

Molecular Formula C9H6F3N
Molecular Weight 185.1458
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 12:23:50 GMT 2023
Edited
by admin
on Sat Dec 16 12:23:50 GMT 2023
Record UNII
TZ8YD2Y8XG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(Trifluoromethyl)phenylacetonitrile
Systematic Name English
Benzeneacetonitrile, 4-(trifluoromethyl)-
Systematic Name English
Acetonitrile, (α,α,α-trifluoro-p-tolyl)-
Systematic Name English
4-(Trifluoromethyl)benzeneacetonitrile
Systematic Name English
(α,α,α-Trifluoro-p-tolyl)acetonitrile
Systematic Name English
2-[4-(Trifluoromethyl)phenyl]acetonitrile
Systematic Name English
Code System Code Type Description
PUBCHEM
75359
Created by admin on Sat Dec 16 12:23:50 GMT 2023 , Edited by admin on Sat Dec 16 12:23:50 GMT 2023
PRIMARY
ECHA (EC/EINECS)
219-052-2
Created by admin on Sat Dec 16 12:23:50 GMT 2023 , Edited by admin on Sat Dec 16 12:23:50 GMT 2023
PRIMARY
EPA CompTox
DTXSID20177940
Created by admin on Sat Dec 16 12:23:50 GMT 2023 , Edited by admin on Sat Dec 16 12:23:50 GMT 2023
PRIMARY
FDA UNII
TZ8YD2Y8XG
Created by admin on Sat Dec 16 12:23:50 GMT 2023 , Edited by admin on Sat Dec 16 12:23:50 GMT 2023
PRIMARY
CAS
2338-75-2
Created by admin on Sat Dec 16 12:23:50 GMT 2023 , Edited by admin on Sat Dec 16 12:23:50 GMT 2023
PRIMARY