2-bromo-6-methoxyphenol

• ChemBase ID: 17966
• Molecular Formular: C7H7BrO2
• Molecular Mass: 203.03328
• Monoisotopic Mass: 201.96294146
• SMILES: c1ccc(c(c1OC)O)Br
• Canonical SMILES: COc1cccc(c1O)Br
• InChI: InChI=1S/C7H7BrO2/c1-10-6-4-2-3-5(8)7(6)9/h2-4,9H,1H3
• InChIKey: WEUFQISIJPSTBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-methoxyphenol
• IUPAC Traditional name: 2-bromo-6-methoxyphenol
• Synonyms: 2-Bromo-6-methoxyphenol; 2-Bromo-6-methoxyphenol; 2-溴-6-甲氧基苯酚

Database IDs

• CAS Number: 28165-49-3
• MDL Number: MFCD08146628
• PubChem SID: 160981273
• PubChem CID: 11019958

CALCULATED PROPERTIES

• Acid pKa: 8.660778
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2804642
• LogD (pH = 7.4): 2.2577457
• Log P: 2.280762
• Molar Refractivity: 42.1249 cm^3
• Polarizability: 16.354013 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 62-65°C
• Hydrophobicity(logP): 2.129

Safety Information

• Storage Warning: 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: P280G-P305+P351+P338

Product Information

• Purity: 95%; 97%; 98%; 98+%