(4-fluoro-2-methylphenyl)methanol

• ChemBase ID: 180084
• Molecular Formular: C8H9FO
• Molecular Mass: 140.1548632
• Monoisotopic Mass: 140.06374313
• SMILES: C(c1c(cc(cc1)F)C)O
• Canonical SMILES: OCc1ccc(cc1C)F
• InChI: InChI=1S/C8H9FO/c1-6-4-8(9)3-2-7(6)5-10/h2-4,10H,5H2,1H3
• InChIKey: YSULUXOLTMBSFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-fluoro-2-methylphenyl)methanol
• IUPAC Traditional name: (4-fluoro-2-methylphenyl)methanol
• Synonyms: 4-Fluoro-2-methylbenzyl alcohol; 4-Fluoro-2-methylbenzyl alcohol; 4-氟-2-甲基苯甲醇

Database IDs

• CAS Number: 80141-91-9
• MDL Number: MFCD03701058
• PubChem SID: 164235994
• PubChem CID: 3872017

CALCULATED PROPERTIES

• Acid pKa: 14.980179
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.8620194
• LogD (pH = 7.4): 1.8620194
• Log P: 1.8620194
• Molar Refractivity: 38.1315 cm^3
• Polarizability: 14.214519 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280G-P305+P351+P338

Product Information

• Purity: 99%