[2-(trifluoromethoxy)phenyl]methanol

• ChemBase ID: 9216
• Molecular Formular: C8H7F3O2
• Molecular Mass: 192.1351896
• Monoisotopic Mass: 192.03981412
• SMILES: c1ccc(c(c1)CO)OC(F)(F)F
• Canonical SMILES: OCc1ccccc1OC(F)(F)F
• InChI: InChI=1S/C8H7F3O2/c9-8(10,11)13-7-4-2-1-3-6(7)5-12/h1-4,12H,5H2
• InChIKey: ICOVMLDFMWLRJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(trifluoromethoxy)phenyl]methanol
• IUPAC Traditional name: [2-(trifluoromethoxy)phenyl]methanol
• Synonyms: 2-trifluoromethoxybenzyl alcohol; 2-(Trifluoromethoxy)benzyl alcohol; 2-(Trifluoromethoxy)benzyl alcohol; 2-(Trifluoromethoxy)benzyl alcohol 97%; (2-(TrifluoroMethoxy)phenyl)Methanol; 2-(三氟甲氧基)苄基 乙醇

Database IDs

• CAS Number: 175278-07-6
• MDL Number: MFCD00153285
• PubChem SID: 160972523
• PubChem CID: 2777245

CALCULATED PROPERTIES

• Polarizability: 14.787041 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 14.648062
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6370077
• LogD (pH = 7.4): 2.6370077
• Log P: 2.6370077
• Molar Refractivity: 35.9442 cm^3

PROPERTIES

Physical Property

• Boiling Point: 96-98°C/12mm; 96-98°C/12mm
• Density: 1.33

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false; 否

Product Information

• Purity: 97%