346640

4-Fluoro-3-nitrobenzotrifluoride

96%

• Synonym(s): 3-Nitro-α,α,α,4-tetrafluorotoluene, 4,α,α,α-Tetrafluoro-3-nitrotoluene, FNBT
• Linear Formula: FC₆H₃(NO₂)CF₃
• CAS Number: 367-86-2
• Molecular Weight: 209.10
• Beilstein/REAXYS Number: 1880508
• EC Number: 206-702-5
• MDL number: MFCD00007059
• UNSPSC Code: 12352100
• PubChem Substance ID: 24861423
• NACRES: NA.22

Properties

• Quality Level: 100
• 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.)
• functional group: fluoro; nitro
• 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

Description

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

Safety Information

• pictograms: GHS02,GHS07
• signalword: Warning
• hcodes: H226,H315,H319,H335
• pcodes: P210 - P233 - P240 - P241 - P303 + P361 + P353 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: 91.4 °F - closed cup
• flash_point_c: 33 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter