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Name |
2,4,6-Trimethylbiphenyl |
EINECS | N/A |
CAS No. | 3976-35-0 | Density | 0.964g/cm3 |
PSA | 0.00000 | LogP | 4.27880 |
Solubility | N/A | Melting Point |
N/A |
Formula | C15H16 | Boiling Point | 275 °C at 760 mmHg |
Molecular Weight | 196.292 | Flash Point | 118.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Biphenyl,2,4,6-trimethyl- (6CI,7CI,8CI);1,3,5-Trimethyl-2-phenylbenzene;2,4,6-Trimethyl-1,1'-biphenyl;2,4,6-Trimethylbiphenyl;2-Phenylmesitylene;Mesitylbenzene; |
Article Data | 8 |
The 2,4,6-Trimethylbiphenyl, with CAS registry number 3976-35-0, has the systematic name of 2,4,6-trimethylbiphenyl. And its IUPAC name is 1,3,5-trimethyl-2-phenylbenzene. Besides this, it is also called 1,1'-biphenyl, 2,4,6-trimethyl-. And the chemical formula of this chemical is C15H16.
Physical properties of 2,4,6-Trimethylbiphenyl: (1)ACD/LogP: 5.36; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.36; (4)ACD/LogD (pH 7.4): 5.36; (5)ACD/BCF (pH 5.5): 6926.22; (6)ACD/BCF (pH 7.4): 6926.22; (7)ACD/KOC (pH 5.5): 19526.23; (8)ACD/KOC (pH 7.4): 19526.23; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 65.31 cm3; (15)Molar Volume: 203.5 cm3; (16)Polarizability: 25.89×10-24cm3; (17)Surface Tension: 34.5 dyne/cm; (18)Enthalpy of Vaporization: 49.28 kJ/mol; (19)Vapour Pressure: 0.00878 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ccc1)c2c(cc(cc2C)C)C
(2)InChI: InChI=1/C15H16/c1-11-9-12(2)15(13(3)10-11)14-7-5-4-6-8-14/h4-10H,1-3H3
(3)InChIKey: CDKUYUULLQLNFF-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C15H16/c1-11-9-12(2)15(13(3)10-11)14-7-5-4-6-8-14/h4-10H,1-3H3
(5)Std. InChIKey: CDKUYUULLQLNFF-UHFFFAOYSA-N