195359

4-Fluorobenzotrifluoride

98%

• Synonym(s): α,α,α,4-Tetrafluorotoluene
• Linear Formula: FC₆H₄CF₃
• CAS Number: 402-44-8
• Molecular Weight: 164.10
• EC Number: 206-944-1
• MDL number: MFCD00000399
• UNSPSC Code: 12352100
• PubChem Substance ID: 24851687
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 98%
• form: liquid
• refractive index: n20/D 1.401 (lit.)
• bp: 102-105 °C (lit.)
• mp: −42-−41.7 °C (lit.)
• density: 1.293 g/mL at 25 °C (lit.)
• SMILES string: Fc1ccc(cc1)C(F)(F)F
• InChI: 1S/C7H4F4/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H
• InChI key: UNNNAIWPDLRVRN-UHFFFAOYSA-N

Description

Application

4-Fluorobenzotrifluoride was used in the synthesis of:

• 2,2′-bis(trifluoromethylphenoxy)biphenyl via nucleophilic aromatic substitution reaction with 2,2′-biphenol
• (S)-fluoxetine, potent inhibitor of neuronal serotonin-uptake
• 1-aryloxy-2-substituted aminomethyltetrahydronaphthalene derivatives

Safety Information

• Pictograms: GHS02,GHS07
• Signal Word: Danger
• Hazard Statements: H225,H315,H319,H335
• Precautionary Statements: P210 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point(F): 51.8 °F - closed cup
• Flash Point(C): 11 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves