4-(benzyloxy)-1-bromo-2-fluorobenzene

• ChemBase ID: 100160
• Molecular Formular: C13H10BrFO
• Molecular Mass: 281.1203032
• Monoisotopic Mass: 279.98990516
• SMILES: O(c1cc(c(cc1)Br)F)Cc1ccccc1
• Canonical SMILES: Brc1ccc(cc1F)OCc1ccccc1
• InChI: InChI=1S/C13H10BrFO/c14-12-7-6-11(8-13(12)15)16-9-10-4-2-1-3-5-10/h1-8H,9H2
• InChIKey: BYTJTXKQBSNGCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(benzyloxy)-1-bromo-2-fluorobenzene
• IUPAC Traditional name: 4-(benzyloxy)-1-bromo-2-fluorobenzene
• Synonyms: 4-(Benzyloxy)-2-fluorobromobenzene; Benzyl 4-bromo-3-fluorophenyl ether; 4-(Benzyloxy)-1-bromo-2-fluorobenzene; 4-Benzyloxy-1-bromo-2-fluorobenzene; 4-苄氧基-1-溴-2-氟苯

Database IDs

• CAS Number: 185346-79-6
• MDL Number: MFCD09801041
• PubChem SID: 162086426
• PubChem CID: 22273933

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.4515023
• LogD (pH = 7.4): 4.4515023
• Log P: 4.4515023
• Molar Refractivity: 64.973 cm^3
• Polarizability: 24.887585 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 33-35°C; 33-35°C

Safety Information

• Storage Warning: Irritant/Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%