2-bromoadamantane

• ChemBase ID: 286792
• Molecular Formular: C10H15Br
• Molecular Mass: 215.1301
• Monoisotopic Mass: 214.03571248
• SMILES: BrC1C2CC3CC(C2)CC1C3
• Canonical SMILES: BrC1C2CC3CC1CC(C2)C3
• InChI: InChI=1S/C10H15Br/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2
• InChIKey: RCXJARRRXOPXBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromoadamantane
• IUPAC Traditional name: 2-bromoadamantane
• Synonyms: 2-Bromoadamantane; 2-Adamantyl bromide; 2-Bromoadamantane; 2-溴金刚烷

Database IDs

• CAS Number: 7314-85-4
• EC Number: 230-777-3
• MDL Number: MFCD00074745
• Beilstein Number: 4655839
• PubChem SID: 180672323
• PubChem CID: 522482

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1973126
• LogD (pH = 7.4): 3.1973126
• Log P: 3.1973126
• Molar Refractivity: 49.746 cm^3
• Polarizability: 19.621735 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 136-141°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 95+%; 98%