[4-(bromomethyl)phenyl]methanol

• ChemBase ID: 293810
• Molecular Formular: C8H9BrO
• Molecular Mass: 201.06046
• Monoisotopic Mass: 199.98367691
• SMILES: OCc1ccc(CBr)cc1
• Canonical SMILES: OCc1ccc(cc1)CBr
• InChI: InChI=1S/C8H9BrO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,10H,5-6H2
• InChIKey: RDHSYXFAOVTAEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(bromomethyl)phenyl]methanol
• IUPAC Traditional name: [4-(bromomethyl)phenyl]methanol
• Synonyms: 4-Methoxybenzyl bromide; (4-(Bromomethyl)phenyl)methanol

Database IDs

• CAS Number: 71831-21-5; 2746-25-0
• MDL Number: MFCD00800380
• PubChem SID: 180679341
• PubChem CID: 10330434

CALCULATED PROPERTIES

• Polarizability: 17.314608 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 15.006495
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.9786334
• LogD (pH = 7.4): 1.9786334
• Log P: 1.9786334
• Molar Refractivity: 45.7243 cm^3

PROPERTIES

Physical Property

• Boiling Point: 91°C
• Density: 1.379
• Refractive Index: 1.578

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3265
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 20-23-26-36/37/39-45-60
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 95%; 95+%