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Details

Stereochemistry ACHIRAL
Molecular Formula C8H4F3NO
Molecular Weight 187.1187
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-(TRIFLUOROMETHYL)PHENYL ISOCYANATE

SMILES

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

InChI

InChIKey=SXJYSIBLFGQAND-UHFFFAOYSA-N
InChI=1S/C8H4F3NO/c9-8(10,11)6-2-1-3-7(4-6)12-5-13/h1-4H

HIDE SMILES / InChI

Molecular Formula C8H4F3NO
Molecular Weight 187.1187
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:14:57 GMT 2023
Edited
by admin
on Fri Dec 15 19:14:57 GMT 2023
Record UNII
QPS7LLZ6XM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(TRIFLUOROMETHYL)PHENYL ISOCYANATE
Systematic Name English
.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-3-TOLYL ISOCYANATE
Systematic Name English
1-(TRIFLUOROMETHYL)-3-(ISOCYANATO)BENZENE
Systematic Name English
BENZENE, 1-ISOCYANATO-3-(TRIFLUOROMETHYL)-
Systematic Name English
ISOCYANIC ACID, .ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-M-TOLYL ESTER
Common Name English
M-(TRIFLUOROMETHYL)PHENYL ISOCYANATE
Systematic Name English
.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-M-TOLYL ISOCYANATE
Systematic Name English
1-ISOCYANATO-3-TRIFLUOROMETHYLBENZENE
Systematic Name English
Code System Code Type Description
PUBCHEM
9483
Created by admin on Fri Dec 15 19:14:57 GMT 2023 , Edited by admin on Fri Dec 15 19:14:57 GMT 2023
PRIMARY
ECHA (EC/EINECS)
206-341-3
Created by admin on Fri Dec 15 19:14:57 GMT 2023 , Edited by admin on Fri Dec 15 19:14:57 GMT 2023
PRIMARY
CAS
329-01-1
Created by admin on Fri Dec 15 19:14:57 GMT 2023 , Edited by admin on Fri Dec 15 19:14:57 GMT 2023
PRIMARY
EPA CompTox
DTXSID0027143
Created by admin on Fri Dec 15 19:14:57 GMT 2023 , Edited by admin on Fri Dec 15 19:14:57 GMT 2023
PRIMARY
FDA UNII
QPS7LLZ6XM
Created by admin on Fri Dec 15 19:14:57 GMT 2023 , Edited by admin on Fri Dec 15 19:14:57 GMT 2023
PRIMARY