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Details

Stereochemistry ACHIRAL
Molecular Formula C7H6F3N.ClH
Molecular Weight 197.585
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(Trifluoromethyl)aniline hydrochloride

SMILES

Cl.NC1=CC(=CC=C1)C(F)(F)F

InChI

InChIKey=RGHFRKJSEQEKCV-UHFFFAOYSA-N
InChI=1S/C7H6F3N.ClH/c8-7(9,10)5-2-1-3-6(11)4-5;/h1-4H,11H2;1H

HIDE SMILES / InChI
Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C7H6F3N
Molecular Weight 161.1244
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
149124
PubMed

PubMed

TitleDatePubMed
(E)-4-Meth-oxy-2-[3-(trifluoro-meth-yl)phenyl-imino-meth-yl]phenol.
2009-11-28
(E)-2-[3-(Trifluoro-meth-yl)phenyl-imino-meth-yl]benzene-1,4-diol.
2009-10-17
Vibrational spectroscopy investigation using ab initio and density functional theory analysis on the structure of 3-aminobenzotrifluoride.
2007-05
New designer drug 1-(3-trifluoromethylphenyl) piperazine (TFMPP): gas chromatography/mass spectrometry and liquid chromatography/mass spectrometry studies on its phase I and II metabolism and on its toxicological detection in rat urine.
2003-09
19F NMR spectroscopic investigation into the absorption and metabolism of 3-trifluoromethylaniline in Eisenia veneta.
2003-02
19F-NMR and directly coupled 19F/1H-HPLC-NMR spectroscopic investigations of the metabolism of the model ecotoxin 3-trifluoromethylaniline in the earthworm species Eisenia veneta.
2002-06
Patents

Patents

03932662
2
04045209
4
04061655
2
04110454
6
04402960
7
04977170
2
05426188
3
05508415
3
05773476
2
06677334
4
06703402
4
07148232
4
07157476
2
07166635
3
07230133
2
07253190
2
07465750
39
07589200
16
07629376
2
07858784
8
07875728
9
07923466
2
08133886
2
08399674
2
08410266
16
08435995
5
08440674
2
08519188
2
08536182
5
08741899
5
08759334
4
08841318
3
JP2003300886A
2
Substance Class Chemical
Created
by admin
on Wed Apr 02 17:22:15 GMT 2025
Edited
by admin
on Wed Apr 02 17:22:15 GMT 2025
Record UNII
D8M2XGK72F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-221148
Preferred Name English
3-(Trifluoromethyl)aniline hydrochloride
Systematic Name English
3-Aminobenzotrifluoride hydrochloride
Systematic Name English
BENZENAMINE, 3-(TRIFLUOROMETHYL)-, HYDROCHLORIDE
Systematic Name English
m-Toluidine, ?,?,?-trifluoro-, hydrochloride
Common Name English
Benzenamine, 3-(trifluoromethyl)-, hydrochloride (1:1)
Systematic Name English
m-(Trifluoromethyl)aniline hydrochloride
Systematic Name English
3-Trifluoromethylaniline hydrochloride
Systematic Name English
Code System Code Type Description
PUBCHEM
200755
Created by admin on Wed Apr 02 17:22:15 GMT 2025 , Edited by admin on Wed Apr 02 17:22:15 GMT 2025
PRIMARY
EPA CompTox
DTXSID00181060
Created by admin on Wed Apr 02 17:22:15 GMT 2025 , Edited by admin on Wed Apr 02 17:22:15 GMT 2025
PRIMARY
NSC
221148
Created by admin on Wed Apr 02 17:22:15 GMT 2025 , Edited by admin on Wed Apr 02 17:22:15 GMT 2025
PRIMARY
CAS
2646-97-1
Created by admin on Wed Apr 02 17:22:15 GMT 2025 , Edited by admin on Wed Apr 02 17:22:15 GMT 2025
PRIMARY
FDA UNII
D8M2XGK72F
Created by admin on Wed Apr 02 17:22:15 GMT 2025 , Edited by admin on Wed Apr 02 17:22:15 GMT 2025
PRIMARY
Related Record Type Details
Structure of 3-TRIFLUOROMETHYLANILINE
PARENT -> SALT/SOLVATE
NIH
NCATS
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