1-bromo-2-cyclohexylbenzene

• ChemBase ID: 302526
• Molecular Formular: C12H15Br
• Molecular Mass: 239.1515
• Monoisotopic Mass: 238.03571248
• SMILES: c1ccc(c(c1)C1CCCCC1)Br
• Canonical SMILES: Brc1ccccc1C1CCCCC1
• InChI: InChI=1S/C12H15Br/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2
• InChIKey: BXMDAGGQRIDSPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-2-cyclohexylbenzene
• IUPAC Traditional name: 1-bromo-2-cyclohexylbenzene
• Synonyms: 2-Cyclohexylbromobenzene; 1-Bromo-2-cyclohexylbenzene; 1-溴-2-环己基苯

Database IDs

• CAS Number: 59734-92-8
• EC Number: 000-000-0
• MDL Number: MFCD02093987
• Beilstein Number: 2365764

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: 23.254328 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 79-83°C/0.01mm
• Density: 1.295
• Refractive Index: 1.5605

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%