| Identification | |
| Name: | Anthracene,2-methyl-9,10-bis(2-phenylethynyl)- |
| Synonyms: | Anthracene,2-methyl-9,10-bis(phenylethynyl)- (6CI,9CI);Bisphenylethynylmethylanthracene;anthracene, 2-methyl-9,10-bis(2-phenylethynyl)-;2-Methyl-9,10-bis(phenylethynyl)anthracene; |
| CAS: | 51580-23-5 |
| Molecular Formula: | C31H20 |
| Molecular Weight: | 392.49 |
| InChI: | InChI=1/C31H20/c1-23-16-19-29-28(20-17-24-10-4-2-5-11-24)26-14-8-9-15-27(26)30(31(29)22-23)21-18-25-12-6-3-7-13-25/h2-16,19,22H,1H3 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.21 |
| Refractive index: | 1.74 |
| Specification: |
The 9,10-Bis(phenylethynyl)-2-methylanthracene, with the cas registry number 51580-23-5, has the systematic name of 2-methyl-9,10-bis(phenylethynyl)anthracene, and it is also called Bisphenylethynylmethylanthracene. The molecular formula of the chemical is C31H20. The characteristics of this chemical are as followings: (1)ACD/LogP: 10.26; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.26; (4)ACD/LogD (pH 7.4): 10.26; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 9123725; (8)ACD/KOC (pH 7.4): 9123725; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.74; (13)Molar Refractivity: 130.45 cm3; (14)Molar Volume: 323.3 cm3; (15)Polarizability: 51.71×10-24cm3; (16)Surface Tension: 63.4 dyne/cm; (17)Density: 1.21 g/cm3; (18)Flash Point: 332.6 °C; (19)Enthalpy of Vaporization: 89.12 kJ/mol; (20)Boiling Point: 624.7 °C at 760 mmHg; (21)Vapour Pressure: 7.52E-15 mmHg at 25°C. Addtionally, the following datas could be converted into the molecular structure: |
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