1-ethyl-4-phenylbenzene

• ChemBase ID: 77115
• Molecular Formular: C14H14
• Molecular Mass: 182.26096
• Monoisotopic Mass: 182.10955045
• SMILES: CCc1ccc(cc1)c1ccccc1
• Canonical SMILES: CCc1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C14H14/c1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13/h3-11H,2H2,1H3
• InChIKey: SRQOBNUBCLPPPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-4-phenylbenzene
• IUPAC Traditional name: 1-ethyl-4-phenylbenzene
• Synonyms: 4-Ethyl-1,1'-Biphenyl; 4-Ethylbiphenyl; 4-Ethylbiphenyl; 4-乙基联苯

Database IDs

• CAS Number: 5707-44-8
• MDL Number: MFCD00010236
• Beilstein Number: 1904973
• PubChem SID: 24854835; 162041989
• PubChem CID: 79786

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.578461
• LogD (pH = 7.4): 4.578461
• Log P: 4.578461
• Molar Refractivity: 60.8364 cm^3
• Polarizability: 25.133537 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 34-35.5 °C(lit.); 34-36°C
• Boiling Point: 140°C/15mm; 149-149.8 °C/12 mmHg(lit.)
• Flash Point: >113 °C; >235.4 °F

Safety Information

• German water hazard class: 3
• TSCA Listed: 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 97%; 98%; 99%
• Linear Formula: C6H5C6H4C2H5