1-(2-bromoethoxy)-4-fluorobenzene

• ChemBase ID: 15776
• Molecular Formular: C8H8BrFO
• Molecular Mass: 219.0509232
• Monoisotopic Mass: 217.9742551
• SMILES: c1c(ccc(c1)OCCBr)F
• Canonical SMILES: BrCCOc1ccc(cc1)F
• InChI: InChI=1S/C8H8BrFO/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4H,5-6H2
• InChIKey: JXSPKRUNMHMICQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-bromoethoxy)-4-fluorobenzene
• IUPAC Traditional name: 1-(2-bromoethoxy)-4-fluorobenzene
• Synonyms: 1-(2-Bromoethoxy)-4-fluorobenzene; 4-(2-Bromoethoxy)fluorobenzene; 1-(2-Bromoethoxy)-4-fluorobenzene; 2-Bromoethyl 4-fluorophenyl ether; beta-Bromo-4-fluorophenetole; 1-(2-Bromoethoxy)-4-fluorobenzene; 1-(2-溴乙氧基)-4-氟苯

Database IDs

• CAS Number: 332-48-9
• MDL Number: MFCD00044739
• PubChem SID: 160979083
• PubChem CID: 2064171

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8082616
• LogD (pH = 7.4): 2.8082616
• Log P: 2.8082616
• Molar Refractivity: 45.0644 cm^3
• Polarizability: 17.211954 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant/Light Sensitive
• 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: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97+%