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Details

Stereochemistry ACHIRAL
Molecular Formula C8H8F3N
Molecular Weight 175.151
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRIFLUOROMETHYL TOLUIDINE

SMILES

CC1=C(C=CC=C1N)C(F)(F)F

InChI

InChIKey=TWLDBACVSHADLI-UHFFFAOYSA-N
InChI=1S/C8H8F3N/c1-5-6(8(9,10)11)3-2-4-7(5)12/h2-4H,12H2,1H3

HIDE SMILES / InChI

Molecular Formula C8H8F3N
Molecular Weight 175.151
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

2-methyl-3-(trifluoromethyl)benzenamine is a nonsteroidal anti-inflammatory drug Flunixin commercial preparation impurity (less than 0.2%). As intermediate, it is used in the synthesis of anthranilic acid amides with VEGF receptor tyrosine kinase inhibition properties. Also, it is a reactant in the synthesis of methylguanidine derivatives as prospective PET radioligands for the open channel of the NMDA receptor.

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
Patents

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:07:16 GMT 2023
Edited
by admin
on Fri Dec 15 19:07:16 GMT 2023
Record UNII
569607266B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRIFLUOROMETHYL TOLUIDINE
Common Name English
2-METHYL-3-AMINOBENZOTRIFLUORIDE
Common Name English
BENZENAMINE, 2-METHYL-3-(TRIFLUOROMETHYL)-
Systematic Name English
2-AMINO-6-(TRIFLUOROMETHYL)TOLUENE
Systematic Name English
FLUNIXIN RELATED COMPOUND B [USP-RS]
Common Name English
2-METHYL-3-(TRIFLUOROMETHYL)PHENYLAMINE
Systematic Name English
2-METHYL-3-(TRIFLUOROMETHYL)ANILINE
Systematic Name English
2-METHYL-3-(TRIFLUOROMETHYL)BENZENAMINE
Systematic Name English
3-(TRIFLUOROMETHYL)-2-METHYLBENZENAMINE
Systematic Name English
FLUNIXIN MEGLUMINE IMPURITY B [EP IMPURITY]
Common Name English
FLUNIXIN RELATED COMPOUND B [USP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
2735932
Created by admin on Fri Dec 15 19:07:16 GMT 2023 , Edited by admin on Fri Dec 15 19:07:16 GMT 2023
PRIMARY
CAS
54396-44-0
Created by admin on Fri Dec 15 19:07:16 GMT 2023 , Edited by admin on Fri Dec 15 19:07:16 GMT 2023
PRIMARY
FDA UNII
569607266B
Created by admin on Fri Dec 15 19:07:16 GMT 2023 , Edited by admin on Fri Dec 15 19:07:16 GMT 2023
PRIMARY
EPA CompTox
DTXSID9057769
Created by admin on Fri Dec 15 19:07:16 GMT 2023 , Edited by admin on Fri Dec 15 19:07:16 GMT 2023
PRIMARY
ECHA (EC/EINECS)
259-145-5
Created by admin on Fri Dec 15 19:07:16 GMT 2023 , Edited by admin on Fri Dec 15 19:07:16 GMT 2023
PRIMARY
RS_ITEM_NUM
1274630
Created by admin on Fri Dec 15 19:07:16 GMT 2023 , Edited by admin on Fri Dec 15 19:07:16 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP