156035

3-(Trifluoromethyl)phenol

99%

• Synonym(s): α,α,α-Trifluoro-m-cresol, 3-Hydroxybenzotrifluoride
• Linear Formula: CF₃C₆H₄OH
• CAS Number: 98-17-9
• Molecular Weight: 162.11
• Beilstein/REAXYS Number: 2045663
• EC Number: 202-645-5
• MDL number: MFCD00002299
• UNSPSC Code: 12352100
• PubChem Substance ID: 24849588
• NACRES: NA.22

Properties

• vapor pressure: 0.56 mmHg ( 40 °C)
• assay: 99%
• form: liquid
• refractive index: n20/D 1.458 (lit.)
• bp: 178-179 °C (lit.)
• mp: −2-−1.8 °C (lit.)
• density: 1.333 g/mL at 25 °C (lit.)
• SMILES string: Oc1cccc(c1)C(F)(F)F
• InChI: 1S/C7H5F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4,11H
• InChI key: UGEJOEBBMPOJMT-UHFFFAOYSA-N

Description

Application

3-(Trifluoromethyl)phenol (3-Hydroxybenzotrifluoride) was used in the preparation of travoprost (antiglaucoma agent).

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: 163.4 °F - closed cup
• flash_point_c: 73 °C - closed cup
• ppe: Eyeshields, Gloves, type ABEK (EN14387) respirator filter