4-(3,4-dimethylphenyl)-1,2-dimethylbenzene

• ChemBase ID: 302333
• Molecular Formular: C16H18
• Molecular Mass: 210.31412
• Monoisotopic Mass: 210.14085058
• SMILES: Cc1ccc(cc1C)c1ccc(c(c1)C)C
• Canonical SMILES: Cc1ccc(cc1C)c1ccc(c(c1)C)C
• InChI: InChI=1S/C16H18/c1-11-5-7-15(9-13(11)3)16-8-6-12(2)14(4)10-16/h5-10H,1-4H3
• InChIKey: YXBIAYXZUDJVEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3,4-dimethylphenyl)-1,2-dimethylbenzene
• IUPAC Traditional name: 4-(3,4-dimethylphenyl)-1,2-dimethylbenzene
• Synonyms: 3,3',4,4'-Tetramethylbiphenyl; 3,3',4,4'-四甲基联苯

Database IDs

• CAS Number: 4920-95-0
• MDL Number: MFCD00130219
• Beilstein Number: 1935370

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.6741567
• LogD (pH = 7.4): 5.6741567
• Log P: 5.6741567
• Molar Refractivity: 71.359 cm^3
• Polarizability: 28.561018 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 74-77°C

Safety Information

• RTECS: DV8730000
• TSCA Listed: 否

Product Information

• Purity: 98%