178470

4-(Trifluoromethyl)phenol

97%

• Synonym(s): α,α,α-Trifluoro-p-cresol, 4-Hydroxybenzotrifluoride
• Linear Formula: CF₃C₆H₄OH
• CAS Number: 402-45-9
• Molecular Weight: 162.11
• Beilstein: 1637019
• EC Number: 206-945-7
• MDL number: MFCD00002363
• UNSPSC Code: 12352100
• PubChem Substance ID: 24850747
• NACRES: NA.22

Properties

• Assay: 97%
• form: liquid
• mp: 45-47 °C (lit.)
• functional group: fluoro
• storage temp.: 2-8°C
• SMILES string: Oc1ccc(cc1)C(F)(F)F
• InChI: 1S/C7H5F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11H
• InChI key: BAYGVMXZJBFEMB-UHFFFAOYSA-N

Description

General description

4-(Trifluoromethyl)phenol molecule, bound at the active site of H61T (His-61→Thr) mutant, shows strong density.

4-(Trifluoromethyl)phenol also known as p-trifluoromethylphenol, is used in synthesis of polymers and monomers.

Application

4-(Trifluoromethyl)phenol (4-hydroxybenzotrifluoride) was used in the synthesis of diaryl ether.

Safety Information

• Pictograms: GHS02,GHS06,GHS05
• Signal Word: Danger
• Hazard Statements: H228,H301,H315,H318,H335
• Precautionary Statements: P210 - P240 - P280 - P301 + P310 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 3 Oral - Eye Dam. 1 - Flam. Sol. 1 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 4.1B - Flammable solid hazardous materials
• WGK: WGK 3
• Flash Point(F): 183.2 °F - closed cup
• Flash Point(C): 84 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves