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34101-86-5

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Basic Information
CAS No.: 34101-86-5
Name: 1,2-BIS(3,4-DIMETHYLPHENYL)ETHANE
Article Data: 5
Molecular Structure:
Molecular Structure of 34101-86-5 (1,2-BIS(3,4-DIMETHYLPHENYL)ETHANE)
Formula: C18H22
Molecular Weight: 238.373
Synonyms: Bibenzyl,3,3',4,4'-tetramethyl- (8CI);1,2-Bis(3,4-dimethylphenyl)ethane;1,2-Bis(3',4'-dimethylphenyl)ethane;Benzene,1,1'-(1,2-ethanediyl)bis[3,4-dimethyl-;3,3',4,4'-Tetramethyldiphenyl-1,2-ethane;3,3',4,4'-Tetramethyldiphenylethane;
Density: 0.96 g/cm3
Melting Point: 92.0 to 96.0 °C
Boiling Point: 340.1 °C at 760 mmHg
Flash Point: 169.1 °C
PSA: 0.00000
LogP: 4.70540
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Specification

The 3,3',4,4'-Tetramethylbibenzyl, with the CAS registry number 34101-86-5, is also known as 1,2-Bis(3,4-dimethylphenyl)ethane. This chemical's molecular formula is C18H22 and molecular weight is 238.37. What's more, its IUPAC name is 4-[2-(3,4-dimethylphenyl)ethyl]-1,2-dimethylbenzene. 

Physical properties of 3,3',4,4'-Tetramethylbibenzyl are: (1)ACD/LogP: 6.54; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.54; (4)ACD/BCF (pH 5.5): 54940.36; (5)ACD/KOC (pH 5.5): 85979.77; (6)#Freely Rotating Bonds: 3; (7)Index of Refraction: 1.554; (8)Molar Refractivity: 79.58 cm3; (9)Molar Volume: 248 cm3; (10)Polarizability: 31.55×10-24cm3; (11)Surface Tension: 35.7 dyne/cm; (12)Density: 0.96 g/cm3; (13)Flash Point: 169.1 °C; (14)Enthalpy of Vaporization: 56.05 kJ/mol; (15)Boiling Point: 340.1 °C at 760 mmHg; (16)Vapour Pressure: 0.000173 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,2-dimethyl-benzene, tris(diformylamino)methane. This reaction will need reagent AlCl3 and solvent 1,2-dichloro-ethane. The yield is about 64%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C=C(C=C1)CCC2=CC(=C(C=C2)C)C)C
(2)InChI: InChI=1S/C18H22/c1-13-5-7-17(11-15(13)3)9-10-18-8-6-14(2)16(4)12-18/h5-8,11-12H,9-10H2,1-4H3
(3)InChIKey: MOPBWASVAUDDTC-UHFFFAOYSA-N