3-(Trifluoromethyl)aniline hydrochloride

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

Show entries

Title	Date	PubMed
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	14505325
Vibrational spectroscopy investigation using ab initio and density functional theory analysis on the structure of 3-aminobenzotrifluoride.	2007 May	16945578
(E)-4-Meth-oxy-2-[3-(trifluoro-meth-yl)phenyl-imino-meth-yl]phenol.	2009 Nov 28	21578946
(E)-2-[3-(Trifluoro-meth-yl)phenyl-imino-meth-yl]benzene-1,4-diol.	2009 Oct 17	21578348

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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

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Code System

Code

Type

Description

PUBCHEM

200755

PRIMARY

EPA CompTox

DTXSID00181060

PRIMARY

NSC

221148

PRIMARY

CAS

2646-97-1

PRIMARY

FDA UNII

D8M2XGK72F

PRIMARY

Showing 1 to 5 of 5 entries

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PARENT (SALT/SOLVATE)


					Z1RWM538YN

3-TRIFLUOROMETHYLANILINE

SUBSTANCE RECORD


					D8M2XGK72F

3-(Trifluoromethyl)aniline hydrochloride

SMILES

InChI

Approval Year

PubMed

Patents