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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

Approval Year

PubMed

PubMed

TitleDatePubMed
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 Jun
19F NMR spectroscopic investigation into the absorption and metabolism of 3-trifluoromethylaniline in Eisenia veneta.
2003 Feb
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 Sep
Vibrational spectroscopy investigation using ab initio and density functional theory analysis on the structure of 3-aminobenzotrifluoride.
2007 May
(E)-4-Meth-oxy-2-[3-(trifluoro-meth-yl)phenyl-imino-meth-yl]phenol.
2009 Nov 28
(E)-2-[3-(Trifluoro-meth-yl)phenyl-imino-meth-yl]benzene-1,4-diol.
2009 Oct 17
Patents
Name Type Language
3-(Trifluoromethyl)aniline hydrochloride
Systematic Name English
NSC-221148
Code English
3-Aminobenzotrifluoride hydrochloride
Systematic Name English
BENZENAMINE, 3-(TRIFLUOROMETHYL)-, HYDROCHLORIDE
Systematic Name English
m-Toluidine, α,α,α-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 Sat Dec 16 19:49:50 GMT 2023 , Edited by admin on Sat Dec 16 19:49:50 GMT 2023
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EPA CompTox
DTXSID00181060
Created by admin on Sat Dec 16 19:49:50 GMT 2023 , Edited by admin on Sat Dec 16 19:49:50 GMT 2023
PRIMARY
NSC
221148
Created by admin on Sat Dec 16 19:49:50 GMT 2023 , Edited by admin on Sat Dec 16 19:49:50 GMT 2023
PRIMARY
CAS
2646-97-1
Created by admin on Sat Dec 16 19:49:50 GMT 2023 , Edited by admin on Sat Dec 16 19:49:50 GMT 2023
PRIMARY
FDA UNII
D8M2XGK72F
Created by admin on Sat Dec 16 19:49:50 GMT 2023 , Edited by admin on Sat Dec 16 19:49:50 GMT 2023
PRIMARY