MilliporeSigma
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346640

Sigma-Aldrich

4-Fluoro-3-nitrobenzotrifluoride

96%

Synonym(s):
FNBT, 3-Nitro-α,α,α,4-tetrafluorotoluene, 4,α,α,α-Tetrafluoro-3-nitrotoluene
Linear Formula:
FC6H3(NO2)CF3
CAS Number:
Molecular Weight:
209.10
Beilstein:
1880508
EC Number:
MDL number:
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

Packaging

100 g in glass bottle

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

Certificate of Analysis

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Certificate of Origin

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