1-(3-fluorophenyl)ethan-1-ol

• ChemBase ID: 11955
• Molecular Formular: C8H9FO
• Molecular Mass: 140.1548632
• Monoisotopic Mass: 140.06374313
• SMILES: C(C)(O)c1cc(ccc1)F
• Canonical SMILES: Fc1cccc(c1)C(O)C
• InChI: InChI=1S/C8H9FO/c1-6(10)7-3-2-4-8(9)5-7/h2-6,10H,1H3
• InChIKey: YESOPGLEIJQAEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-fluorophenyl)ethan-1-ol
• IUPAC Traditional name: 1-(3-fluorophenyl)ethanol
• Synonyms: 1-(m-FLUOROPHENYL)ETHANOL; 1-(3-Fluorophenyl)ethanol; 3-Fluoro-alpha-methylbenzyl alcohol; 3-Fluorophenyl methyl carbinol; 1-(3-Fluorophenyl)ethanol; 1-(3-fluorophenyl)ethan-1-ol; 1-(3-Fluorophenyl)ethanol; 3-Fluorophenylmethylcarbinol 97%; 1-(3-氟苯基)乙醇

Database IDs

• CAS Number: 20044-46-6; 402-63-1
• EC Number: 206-950-4
• MDL Number: MFCD00014402
• Beilstein Number: 1932847
• PubChem SID: 160975262
• PubChem CID: 95348

CALCULATED PROPERTIES

• Acid pKa: 14.671869
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.765173
• LogD (pH = 7.4): 1.765173
• Log P: 1.765173
• Molar Refractivity: 37.5091 cm^3
• Polarizability: 14.28818 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 104-106°C/20mm
• Flash Point: 93°C(199°F)
• Density: 1.210
• Refractive Index: 1.5035; 1.505; 1.5050
• Hydrophobicity(logP): 1.556

Safety Information

• Storage Warning: Flammable; 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: 95%; 97%

DETAILS

MP Biomedicals - 05224792

MP Biomedicals Rare Chemical collection