4-Fluorobenzotrifluoride, 98+%, Thermo Scientific Chemicals

Description

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 and 1-aryloxy-2-substituted aminomethyltetrahydronaphthalene derivatives.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
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 and 1-aryloxy-2-substituted aminomethyltetrahydronaphthalene derivatives.

Solubility
Slightly soluble in water.

Notes
Store in cool, dry place in tightly closed container. Store away from oxidizing agent.

Specifications

Chemical Identifiers

• CAS: 402-44-8
• Molecular Formula: C7H4F4
• Molecular Weight (g/mol): 164.103
• MDL Number: MFCD00000399
• InChI Key: UNNNAIWPDLRVRN-UHFFFAOYSA-N
• Synonym: 4-fluorobenzotrifluoride, 1-fluoro-4-trifluoromethyl benzene, p-fluorobenzotrifluoride, benzene, 1-fluoro-4-trifluoromethyl, alpha,alpha,alpha,4-tetrafluorotoluene, p-fluorotrifluoromethylbenzene, p-trifluoromethyl fluorobenzene, 4-flourobenzotrifluoride, a,a,a,4-tetrafluorotoluene, 4-trifluoromethyl fluorobenzene
• PubChem CID: 67873
• IUPAC Name: 1-fluoro-4-(trifluoromethyl)benzene
• SMILES: C1=CC(=CC=C1C(F)(F)F)F

• Melting Point: -42°C
• Density: 1.295
• Boiling Point: 103°C to 105°C
• Flash Point: 10°C (50°F)
• Refractive Index: 1.401
• Quantity: 25 g
• UN Number: UN1993
• Beilstein: 1909390
• Solubility Information: Slightly soluble in water.
• Formula Weight: 164.1
• Percent Purity: ≥98%
• Chemical Name or Material: 4-Fluorobenzotrifluoride

Safety and Handling

Hazard Category	H315-H319-H335
Hazard Statement	GHS H Statement H225-H315-H319-H335 Highly flammable liquid and vapour. Causes skin irritation. Causes serious eye irritation. May cause respiratory irritation.
Precautionary Statement	P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P362-P501c
DOTInformation	Transport Hazard Class: 3; Packing Group: II; Proper Shipping Name: FLAMMABLE LIQUIDS, N.O.S.
EINECSNumber	206-944-1
TSCA	Yes
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only