2-bromononane

• ChemBase ID: 302047
• Molecular Formular: C9H19Br
• Molecular Mass: 207.15116
• Monoisotopic Mass: 206.06701261
• SMILES: CCCCCCCC(C)Br
• Canonical SMILES: CCCCCCCC(Br)C
• InChI: InChI=1S/C9H19Br/c1-3-4-5-6-7-8-9(2)10/h9H,3-8H2,1-2H3
• InChIKey: JQEFZTLHNWFZDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromononane
• IUPAC Traditional name: 2-bromononane
• Synonyms: 2-Bromononane; 2-溴壬烷

Database IDs

• CAS Number: 2216-35-5
• EC Number: 218-688-8
• MDL Number: MFCD00017865
• Beilstein Number: 1697559

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.540259
• LogD (pH = 7.4): 4.540259
• Log P: 4.540259
• Molar Refractivity: 50.9922 cm^3
• Polarizability: 19.919336 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 208-209°C
• Density: 1.081
• Refractive Index: 1.4530

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%