1-bromo-4-cyclohexylbenzene

• ChemBase ID: 301964
• Molecular Formular: C12H15Br
• Molecular Mass: 239.1515
• Monoisotopic Mass: 238.03571248
• SMILES: c1cc(ccc1C1CCCCC1)Br
• Canonical SMILES: Brc1ccc(cc1)C1CCCCC1
• InChI: InChI=1S/C12H15Br/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2
• InChIKey: LVIJLEREXMVRAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-4-cyclohexylbenzene
• IUPAC Traditional name: 1-bromo-4-cyclohexylbenzene
• Synonyms: 4-Cyclohexylbromobenzene; 1-Bromo-4-cyclohexylbenzene; 1-溴-4-环己基苯

Database IDs

• CAS Number: 25109-28-8
• EC Number: 246-623-3
• MDL Number: MFCD00019339
• Beilstein Number: 2209869

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.8569875
• LogD (pH = 7.4): 4.8569875
• Log P: 4.8569875
• Molar Refractivity: 59.8724 cm^3
• Polarizability: 23.252838 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 90-94°C/0.01mm
• Density: 1.287
• Refractive Index: 1.5595

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%