3,3''-Dimethyl-1,1':4',1''-terphenyl supplier

Name
p-Terphenyl, 4,4''-dimethyl- (6CI,7CI)
EINECS
CAS No. 97295-31-3
Article Data5
CAS DataBase
Density 1.022 g/cm³
Solubility
Melting Point 255-257℃
Formula C₂₀H₁₈
Boiling Point 412.5 °C at 760 mmHg
Molecular Weight 258.363
Flash Point 197.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,3’’-Dimethyl-p-terphenyl;
PSA 0.00000
LogP 5.63740

3,3''-Dimethyl-1,1':4',1''-terphenyl Specification

The 1,1':4',1''-Terphenyl, 4,4''-dimethyl- with CAS registry number of 97295-31-3 is also known as 3,3’’-Dimethyl-p-terphenyl. The systematic name is 3,3''-Dimethyl-1,1':4',1''-terphenyl. In addition, the formula is C₂₀H₁₈ and the molecular weight is 258.36.

Physical properties about 1,1':4',1''-Terphenyl, 4,4''-dimethyl- are: (1)ACD/LogP: 6.55; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.55; (4)ACD/LogD (pH 7.4): 6.55; (5)ACD/BCF (pH 5.5): 56294.05; (6)ACD/BCF (pH 7.4): 56294.05; (7)ACD/KOC (pH 5.5): 87490.87; (8)ACD/KOC (pH 7.4): 87490.87; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.588; (11)Molar Refractivity: 85.08 cm³; (12)Molar Volume: 252.5 cm³; (13)Surface Tension: 38.5 dyne/cm; (14)Density: 1.022 g/cm³; (15)Flash Point: 197.7 °C; (16)Enthalpy of Vaporization: 63.93 kJ/mol; (17)Boiling Point: 412.5 °C at 760 mmHg; (18)Vapour Pressure: 1.23E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: Cc1cccc(c1)c2ccc(cc2)c3cccc(C)c3
2. InChI: InChI=1/C20H18/c1-15-5-3-7-19(13-15)17-9-11-18(12-10-17)20-8-4-6-16(2)14-20/h3-14H,1-2H3
3. InChIKey: ISCJSNCUQHCZAY-UHFFFAOYAR
4. Std. InChI: InChI=1S/C20H18/c1-15-5-3-7-19(13-15)17-9-11-18(12-10-17)20-8-4-6-16(2)14-20/h3-14H,1-2H3
5. Std. InChIKey: ISCJSNCUQHCZAY-UHFFFAOYSA-N

Product Name

p-Terphenyl, 4,4''-dimethyl- (6CI,7CI)

3,3''-Dimethyl-1,1':4',1''-terphenyl Specification

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