(2,3,5-trifluorophenyl)methanol

• ChemBase ID: 8174
• Molecular Formular: C7H5F3O
• Molecular Mass: 162.1092096
• Monoisotopic Mass: 162.02924944
• SMILES: c1(cc(c(c(c1)CO)F)F)F
• Canonical SMILES: OCc1cc(F)cc(c1F)F
• InChI: InChI=1S/C7H5F3O/c8-5-1-4(3-11)7(10)6(9)2-5/h1-2,11H,3H2
• InChIKey: IAYKYKBQMLBYAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,3,5-trifluorophenyl)methanol
• IUPAC Traditional name: (2,3,5-trifluorophenyl)methanol
• Synonyms: (2,3,5-Trifluorophenyl)methanol; 2,3,5-Trifluorobenzyl alcohol 97%; 2,3,5-Trifluorobenzyl alcohol; 2,3,5-Trifluorobenzyl alcohol; (2,3,5-Trifluorophenyl)Methanol; 2,3,5-三氟苯甲醇

Database IDs

• CAS Number: 67640-33-9
• MDL Number: MFCD00083542
• PubChem SID: 160971481
• PubChem CID: 2777030

CALCULATED PROPERTIES

• Acid pKa: 14.205852
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.6340019
• LogD (pH = 7.4): 1.6340017
• Log P: 1.6340019
• Molar Refractivity: 33.5231 cm^3
• Polarizability: 12.127204 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%; 97+%