bromocyclooctane

• ChemBase ID: 295968
• Molecular Formular: C8H15Br
• Molecular Mass: 191.1087
• Monoisotopic Mass: 190.03571248
• SMILES: C1CCCC(CCC1)Br
• Canonical SMILES: BrC1CCCCCCC1
• InChI: InChI=1S/C8H15Br/c9-8-6-4-2-1-3-5-7-8/h8H,1-7H2
• InChIKey: KFKLBMQLKLKHLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bromocyclooctane
• IUPAC Traditional name: bromocyclooctane
• Synonyms: Cyclooctyl bromide; Bromocyclooctane; 溴代环辛烷

Database IDs

• CAS Number: 1556-09-8
• EC Number: 216-310-6
• MDL Number: MFCD00039603
• Beilstein Number: 1901417
• PubChem SID: 180681499
• PubChem CID: 73783

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.709918
• LogD (pH = 7.4): 3.709918
• Log P: 3.709918
• Molar Refractivity: 44.512 cm^3
• Polarizability: 17.389957 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 102-103°C/18mm
• Refractive Index: 1.5120

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%