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Sigma-Aldrich

4-Fluoro-3-nitrobenzotrifluoride

96%

Synonym(s):

3-Nitro-α,α,α,4-tetrafluorotoluene, 4,α,α,α-Tetrafluoro-3-nitrotoluene, FNBT

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About This Item

Linear Formula:
FC6H3(NO2)CF3
CAS Number:
Molecular Weight:
209.10
Beilstein:
1880508
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

96%

form

liquid

refractive index

n20/D 1.462 (lit.)

bp

92 °C/15 mmHg (lit.)

density

1.494 g/mL at 25 °C (lit.)

SMILES string

[O-][N+](=O)c1cc(ccc1F)C(F)(F)F

InChI

1S/C7H3F4NO2/c8-5-2-1-4(7(9,10)11)3-6(5)12(13)14/h1-3H

InChI key

HLDFCCHSOZWKAA-UHFFFAOYSA-N

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Application

4-Fluoro-3-nitrobenzotrifluoride was used in the pre-column derivatization technique for HPLC with UV/VIS spectrophotometric detection of polyamines. It may be used as derivatization reagent for the HPLC determination of polyamines (spermidine, spermine and the diamine precursor putrescine). It was also used in the synthesis of:
  • 2-nitro-4-trifluoromethylphenylhydrazine, derivatization reagent for 1,2-diol compounds and oxo-steroids
  • [3-(2-nitro-4-trifluoromethylphenyl)aminophenyl]dihydroxyborane, derivatization reagent for 1,2-diol compounds and oxo-steroids
  • 1-(3-chlorophenyl)-5-trifluoromethyl-3-hydrobenzimidazol-2-one

Pictograms

FlameExclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

91.4 °F - closed cup

Flash Point(C)

33 °C - closed cup

Personal Protective Equipment

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’.

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B.P. Spragg, A.D. Hutchings
Journal of Chromatography A, 258, 289-289 (1983)
Tatsuya Higashi et al.
Analytical sciences : the international journal of the Japan Society for Analytical Chemistry, 18(12), 1301-1307 (2002-12-28)
Derivatization of neutral steroids for increasing sensitivity in liquid chromatography/negative atmospheric pressure chemical ionization-mass spectrometry (APCI-MS) has been examined. Under APCI conditions, gas-phase electrons are provided by the corona discharge and captured by electron-affinitive compounds. In negative APCI-MS, therefore, ultrahigh
Emanuela Caci et al.
American journal of physiology. Lung cellular and molecular physiology, 285(1), L180-L188 (2003-03-26)
Activators of the CFTR Cl- channel may be useful for therapy of cystic fibrosis. Short-circuit current (Isc) measurements were done on human bronchial epithelial cells to characterize the best flavone and benzimidazolone CFTR activators identified by lead-based combinatorial synthesis and
C Molins-Legua et al.
The Analyst, 124(4), 477-482 (1999-12-22)
The derivatization of biogenic amines such as putrescine, cadaverine, spermidine and spermine with dansyl chloride in solid phase extraction cartridges is described. Different types of filling materials were tested in order to have the highest retention of the different analytes.

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