1-(4-fluorophenyl)ethan-1-ol

• ChemBase ID: 11956
• Molecular Formular: C8H9FO
• Molecular Mass: 140.1548632
• Monoisotopic Mass: 140.06374313
• SMILES: C(C)(O)c1ccc(cc1)F
• Canonical SMILES: CC(c1ccc(cc1)F)O
• InChI: InChI=1S/C8H9FO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3
• InChIKey: PSDSORRYQPTKSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-fluorophenyl)ethan-1-ol
• IUPAC Traditional name: 1-(4-fluorophenyl)ethanol
• Synonyms: 1-(4-Fluorophenyl)ethanol; 4-Fluoro-α-methylbenzyl alcohol; 1-(4-Fluorophenyl)-1-Ethanol; 1-(4-Fluorophenyl)ethan-1-ol; 4-Fluorophenylmethylcarbinol; 4-Fluoro-alpha-methylbenzyl alcohol 97%; 4-Fluorophenyl methyl carbinol; 4-Fluoro-alpha-methylbenzyl alcohol; 1-(4-Fluorophenyl)ethanol; 1-(4-fluorophenyl)ethan-1-ol; 1-(4-氟苯基)乙醇

Database IDs

• CAS Number: 403-41-8
• EC Number: 206-959-3
• MDL Number: MFCD00004515
• PubChem SID: 24848068; 160975263
• PubChem CID: 73946

CALCULATED PROPERTIES

• Acid pKa: 14.763151
• 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: 14.288199 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 90-92 °C/7 mmHg(lit.); 90-92°C/7mm; 91°C/10mm
• Flash Point: 195.8 °F; 90°C; 91 °C
• Density: 1.09; 1.109 g/mL at 25 °C(lit.); 1.120
• Refractive Index: 1.501; 1.5010; n20/D 1.501(lit.)
• Hydrophobicity(logP): 1.556

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H315-H319-H335-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 95%; 97%; 98%; 99%
• Linear Formula: FC6H4CH(CH3)OH

DETAILS

Sigma Aldrich - 132705

Packaging
5, 25 g in glass bottle