2-NITRO-4-TRIFLUOROMETHYLBENZOIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H4F3NO4
Molecular Weight	235.1169
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-NITRO-4-TRIFLUOROMETHYLBENZOIC ACID

Structure Search

SMILES

OC(=O)C1=CC=C(C=C1[N+]([O-])=O)C(F)(F)F

InChI

InChIKey=MYSAXQPTXWKDPQ-UHFFFAOYSA-N

InChI=1S/C8H4F3NO4/c9-8(10,11)4-1-2-5(7(13)14)6(3-4)12(15)16/h1-3H,(H,13,14)

HIDE SMILES / InChI

Approval Year

PubMed

Title	Date	PubMed
Identification of 2-[2-nitro-4-(trifluoromethyl)benzoyl]- cyclohexane-1,3-dione metabolites in urine of patients suffering from tyrosinemia type I with the use of 1H and 19F NMR spectroscopy.	2008	19039335

Patents

Name

Type

Language

.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-2-NITRO-P-TOLUIC ACID

Preferred Name

English

2-NITRO-4-TRIFLUOROMETHYLBENZOIC ACID

Systematic Name

English

NTFA

Common Name

English

P-TOLUIC ACID, .ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-2-NITRO-

Common Name

English

4-(TRIFLUOROMETHYL)-2-NITROBENZOIC ACID

Systematic Name

English

BENZOIC ACID, 2-NITRO-4-(TRIFLUOROMETHYL)-

Common Name

English

2-NITRO-4-(TRIFLUOROMETHYL)BENZOIC ACID

Systematic Name

English

Code System Code Type Description

PUBCHEM

642096

Created by admin on Mon Mar 31 22:57:51 GMT 2025 , Edited by admin on Mon Mar 31 22:57:51 GMT 2025

PRIMARY

FDA UNII

K9M35SV4P3

Created by admin on Mon Mar 31 22:57:51 GMT 2025 , Edited by admin on Mon Mar 31 22:57:51 GMT 2025

PRIMARY

EPA CompTox

DTXSID00348974

Created by admin on Mon Mar 31 22:57:51 GMT 2025 , Edited by admin on Mon Mar 31 22:57:51 GMT 2025

PRIMARY

CAS

320-94-5

Created by admin on Mon Mar 31 22:57:51 GMT 2025 , Edited by admin on Mon Mar 31 22:57:51 GMT 2025

PRIMARY

PARENT (METABOLITE)


					K5BN214699

NITISINONE

SUBSTANCE RECORD


					K9M35SV4P3

2-NITRO-4-TRIFLUOROMETHYLBENZOIC ACID