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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H4F3NO2
Molecular Weight 191.1074
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-3-NITROTOLUENE

SMILES

[O-][N+](=O)C1=CC(=CC=C1)C(F)(F)F

InChI

InChIKey=WHNAMGUAXHGCHH-UHFFFAOYSA-N
InChI=1S/C7H4F3NO2/c8-7(9,10)5-2-1-3-6(4-5)11(12)13/h1-4H

HIDE SMILES / InChI

Molecular Formula C7H4F3NO2
Molecular Weight 191.1074
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 08:47:20 GMT 2023
Edited
by admin
on Sat Dec 16 08:47:20 GMT 2023
Record UNII
GU6L7C6HW3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-3-NITROTOLUENE
Systematic Name English
M-NITROTRIFLUOROTOLUENE
Systematic Name English
.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-M-NITROTOLUENE
Systematic Name English
1-NITRO-3-(TRIFLUOROMETHYL)BENZENE
Systematic Name English
NSC-10313
Code English
1,3-NITROBENZOTRIFLUORIDE
Common Name English
M-(TRIFLUOROMETHYL)NITROBENZENE [HSDB]
Common Name English
TOLUENE, 3-NITRO-.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-
Systematic Name English
5-NITROBENZOTRIFLUORIDE
Common Name English
BENZENE, 1-NITRO-3-(TRIFLUOROMETHYL)-
Systematic Name English
TOLUENE, .ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-M-NITRO-
Systematic Name English
3-TRIFLUOROMETHYLNITROBENZENE
Systematic Name English
3-NITROBENZOTRIFLUORIDE
Common Name English
M-NITROBENZOTRIFLUORIDE
Common Name English
.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORONITROTOLUENE
Systematic Name English
Code System Code Type Description
FDA UNII
GU6L7C6HW3
Created by admin on Sat Dec 16 08:47:20 GMT 2023 , Edited by admin on Sat Dec 16 08:47:20 GMT 2023
PRIMARY
CAS
98-46-4
Created by admin on Sat Dec 16 08:47:20 GMT 2023 , Edited by admin on Sat Dec 16 08:47:20 GMT 2023
PRIMARY
PUBCHEM
7386
Created by admin on Sat Dec 16 08:47:20 GMT 2023 , Edited by admin on Sat Dec 16 08:47:20 GMT 2023
PRIMARY
NSC
10313
Created by admin on Sat Dec 16 08:47:20 GMT 2023 , Edited by admin on Sat Dec 16 08:47:20 GMT 2023
PRIMARY
EPA CompTox
DTXSID9025794
Created by admin on Sat Dec 16 08:47:20 GMT 2023 , Edited by admin on Sat Dec 16 08:47:20 GMT 2023
PRIMARY
HSDB
4250
Created by admin on Sat Dec 16 08:47:20 GMT 2023 , Edited by admin on Sat Dec 16 08:47:20 GMT 2023
PRIMARY
ECHA (EC/EINECS)
202-670-1
Created by admin on Sat Dec 16 08:47:20 GMT 2023 , Edited by admin on Sat Dec 16 08:47:20 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY