nonylbenzene

• ChemBase ID: 111718
• Molecular Formular: C15H24
• Molecular Mass: 204.35106
• Monoisotopic Mass: 204.18780077
• SMILES: CCCCCCCCCc1ccccc1
• Canonical SMILES: CCCCCCCCCc1ccccc1
• InChI: InChI=1S/C15H24/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h8,10-11,13-14H,2-7,9,12H2,1H3
• InChIKey: LIXVMPBOGDCSRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: nonylbenzene
• IUPAC Traditional name: N-nonylbenzene
• Synonyms: n-NONYL BENZENE; Nonylbenzene; 1-Phenylnonane; 1-Phenylnonane; n-Nonylbenzene; 正壬基苯; 1-苯基壬烷; 正壬基苯

Database IDs

• CAS Number: 1081-77-2
• EC Number: 214-103-5
• MDL Number: MFCD00009575
• Beilstein Number: 1907173
• PubChem SID: 162096781; 24886690; 24859930
• PubChem CID: 14126

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.0432167
• LogD (pH = 7.4): 6.0432167
• Log P: 6.0432167
• Molar Refractivity: 67.9072 cm^3
• Polarizability: 26.935785 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 281-283°C; 282 °C(lit.)
• Flash Point: >110°C(230°F); 110 °C; 230 °F
• Density: 0.858; 0.858 g/mL at 25 °C(lit.)
• Refractive Index: 1.4830; n20/D 1.483; n20/D 1.483(lit.)

Safety Information

• German water hazard class: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: ≥99.0% (GC); 96%; 97%
• Grade: analytical standard
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: C6H5(CH2)8CH3

DETAILS

MP Biomedicals - 05220557

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 331066

Packaging
5, 25, 100 g in glass bottle