(3-fluoro-2-methoxyphenyl)methanol

• ChemBase ID: 70237
• Molecular Formular: C8H9FO2
• Molecular Mass: 156.1542632
• Monoisotopic Mass: 156.05865775
• SMILES: c1(c(c(ccc1)F)OC)CO
• Canonical SMILES: COc1c(CO)cccc1F
• InChI: InChI=1S/C8H9FO2/c1-11-8-6(5-10)3-2-4-7(8)9/h2-4,10H,5H2,1H3
• InChIKey: QTKGVZYJECZACB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-fluoro-2-methoxyphenyl)methanol
• IUPAC Traditional name: (3-fluoro-2-methoxyphenyl)methanol
• Synonyms: 3-Fluoro-2-methoxybenzenemethanol; 3-Fluoro-2-methoxybenzyl alcohol; BenzeneMethanol, 3-fluoro-2-Methoxy- (9CI); 3-氟-2-甲氧基苄醇, JRD

Database IDs

• CAS Number: 303043-91-6
• MDL Number: MFCD09025369
• PubChem SID: 162035960
• PubChem CID: 22505951

CALCULATED PROPERTIES

• Acid pKa: 14.551926
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1909267
• LogD (pH = 7.4): 1.1909267
• Log P: 1.1909267
• Molar Refractivity: 39.5535 cm^3
• Polarizability: 15.006714 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: 1.5100

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 23-26-37-60
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280G-P305+P351+P338

Product Information

• Purity: 95+%; 97%