(9-chlorononyl)benzene

• ChemBase ID: 302185
• Molecular Formular: C15H23Cl
• Molecular Mass: 238.79612
• Monoisotopic Mass: 238.14882842
• SMILES: c1ccc(cc1)CCCCCCCCCCl
• Canonical SMILES: ClCCCCCCCCCc1ccccc1
• InChI: InChI=1S/C15H23Cl/c16-14-10-5-3-1-2-4-7-11-15-12-8-6-9-13-15/h6,8-9,12-13H,1-5,7,10-11,14H2
• InChIKey: KFJDHWCTDWNJTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (9-chlorononyl)benzene
• IUPAC Traditional name: (9-chlorononyl)benzene
• Synonyms: 9-Phenyl-n-nonyl chloride; 1-Chloro-9-phenylnonane; 1-氯-9-苯基壬烷

Database IDs

• CAS Number: 27175-81-1
• MDL Number: MFCD00039395
• Beilstein Number: 6289668

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.9611297
• LogD (pH = 7.4): 5.9611297
• Log P: 5.9611297
• Molar Refractivity: 72.8869 cm^3
• Polarizability: 28.667088 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 110-112°C/0.2mm
• Density: 1.026
• Refractive Index: 1.5028

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%