1-(bromomethyl)-4-phenoxybenzene

• ChemBase ID: 92613
• Molecular Formular: C13H11BrO
• Molecular Mass: 263.12984
• Monoisotopic Mass: 261.99932697
• SMILES: O(c1ccc(cc1)CBr)c1ccccc1
• Canonical SMILES: BrCc1ccc(cc1)Oc1ccccc1
• InChI: InChI=1S/C13H11BrO/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H,10H2
• InChIKey: CPIGBCFBFZSCQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(bromomethyl)-4-phenoxybenzene
• IUPAC Traditional name: 1-(bromomethyl)-4-phenoxybenzene
• Synonyms: 1-(bromomethyl)-4-phenoxybenzene; 1-Bromomethyl-4-phenoxybenzene; 4-Phenoxybenzyl bromide; 1-(Bromomethyl)-4-phenoxybenzene; 4-Phenoxybenzyl bromide 97%

Database IDs

• CAS Number: 36881-42-2
• EC Number: 253-253-6
• MDL Number: MFCD04038693
• PubChem SID: 162079311
• PubChem CID: 1514251

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.24627
• LogD (pH = 7.4): 4.24627
• Log P: 4.24627
• Molar Refractivity: 65.1492 cm^3
• Polarizability: 25.084661 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Lachrymatory
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3265
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 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: 97%