Skip to Content
MilliporeSigma
All Photos(1)

Documents

328901

Sigma-Aldrich

2-Nitro-4-(trifluoromethyl)benzoic acid

98%

Synonym(s):

2-Nitro-α,α,α-trifluor-p-toluic acid

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Linear Formula:
O2NC6H3(CF3)CO2H
CAS Number:
320-94-5
Molecular Weight:
235.12
Beilstein/REAXYS Number:
1985588
MDL number:
MFCD00007142
UNSPSC Code:
12352100
PubChem Substance ID:
24859755
NACRES:
NA.22

Quality Level

100

assay

98%

mp

134-138 °C (lit.)

SMILES string

OC(=O)c1ccc(cc1[N+]([O-])=O)C(F)(F)F

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)

InChI key

MYSAXQPTXWKDPQ-UHFFFAOYSA-N

Looking for similar products? Visit Product Comparison Guide

Related Categories

Application

2-Nitro-4-(trifluoromethyl)benzoic acid was used in preparation of 4-trifluoromethyl anthranilic acid.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Przemysław Szczeciński et al.
Acta biochimica Polonica, 55(4), 749-752 (2008-11-29)
Organic extracts of six urine samples from children treated with nitisinone, a medicine against tyrosinemia type I, were investigated by (1)H and (19)F NMR spectroscopy. The presence of unchanged 2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione (NTBC), 6-hydroxy-2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione (NTBC-OH) and 2-nitro-4-trifluoromethylbenzoic acid (NTFA) as well as
Hanna Barchanska et al.
Journal of pharmaceutical and biomedical analysis, 171, 15-21 (2019-04-09)
Nitisinone (2-(2-nitro-4-trifluoromethylbenzoyl)-1,3-cyclohexanedione, NTBC) was the first synthetically produced triketone herbicide. However, its unsatisfactory herbicidal properties, negative impact on the natural environment and the high cost of synthesis have hindered its commercialization as a plant protection agent. Nevertheless, NTBC has become

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service