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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H6F3NO
Molecular Weight 177.1238
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-TRIFLUOROMETHOXYANILINE

SMILES

NC1=CC=C(OC(F)(F)F)C=C1

InChI

InChIKey=XUJFOSLZQITUOI-UHFFFAOYSA-N
InChI=1S/C7H6F3NO/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4H,11H2

HIDE SMILES / InChI
Molecular Formula C7H6F3NO
Molecular Weight 177.1238
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
139594
PubMed

PubMed

TitleDatePubMed
Patents

Patents

03975435
2
04035397
1
04039575
1
04139636
1
04155998
1
04370338
1
04533676
1
04857530
1
04925863
4
04960902
1
05340824
4
05859007
1
05952386
2
06028100
2
06214835
2
06410562
1
06544981
3
06583157
4
06610723
2
06653330
3
06667335
12
06683097
1
06699877
4
06867221
1
JP2001199943A
1
JP2002501024A
3
JP2007514769A
2
JP2007523865A
3
JP2008543917A
2
JPH02212467A
1
JPS5879959A
1
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:40:39 GMT 2023
Edited
by admin
on Fri Dec 15 15:40:39 GMT 2023
Record UNII
P40L42CVF6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-TRIFLUOROMETHOXYANILINE
Systematic Name English
P-ANISIDINE, .ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-
Common Name English
.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-P-ANISIDINE
Common Name English
P-(TRIFLUOROMETHOXY)ANILINE
Common Name English
RILUZOLE RELATED COMPOUND A [USP-RS]
Common Name English
4-(TRIFLUOROMETHOXY)ANILINE
Common Name English
RILUZOLE RELATED COMPOUND A [USP IMPURITY]
USP-RS  
Common Name English
BENZENAMINE, 4-(TRIFLUOROMETHOXY)-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
207-317-5
Created by admin on Fri Dec 15 15:40:39 GMT 2023 , Edited by admin on Fri Dec 15 15:40:39 GMT 2023
PRIMARY
RS_ITEM_NUM
1604348
Created by admin on Fri Dec 15 15:40:39 GMT 2023 , Edited by admin on Fri Dec 15 15:40:39 GMT 2023
PRIMARY
PUBCHEM
600848
Created by admin on Fri Dec 15 15:40:39 GMT 2023 , Edited by admin on Fri Dec 15 15:40:39 GMT 2023
PRIMARY
EPA CompTox
DTXSID70196722
Created by admin on Fri Dec 15 15:40:39 GMT 2023 , Edited by admin on Fri Dec 15 15:40:39 GMT 2023
PRIMARY
FDA UNII
P40L42CVF6
Created by admin on Fri Dec 15 15:40:39 GMT 2023 , Edited by admin on Fri Dec 15 15:40:39 GMT 2023
PRIMARY
CAS
461-82-5
Created by admin on Fri Dec 15 15:40:39 GMT 2023 , Edited by admin on Fri Dec 15 15:40:39 GMT 2023
PRIMARY
Related Record Type Details
Structure of RILUZOLE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966