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| CAS No.: | 501-65-5 |
|---|---|
| Name: | Diphenylacetylene |
| Article Data: | 933 |
| Molecular Structure: | |
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| Formula: | C14H10 |
| Molecular Weight: | 178.233 |
| Synonyms: | Acetylene,diphenyl- (8CI);1,1'-(1,2-Ethynediyl)bis[benzene];1,2-Diphenylacetylene;1,2-Diphenylethyne;Diphenylacetylene;Diphenylethyne;Ethyne, diphenyl-;NSC5185;Tolan;Tolane; |
| EINECS: | 207-926-6 |
| Density: | 1.069 g/cm3 |
| Melting Point: | 59-61 °C |
| Boiling Point: | 300 °C at 760 mmHg |
| Flash Point: | 126.043 °C |
| Solubility: | Miscible with ether and hot alcohol. Immiscible with water. |
| Appearance: | white crystals |
| Safety: | 24/25-22 |
| PSA: | 0.00000 |
| LogP: | 3.08640 |
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Specification
The cas register number of Diphenylacetylene is 501-65-5. It also can be called as 1,2-Diphenylacetylene and the Systematic name about this chemical is2-phenylethynylbenzene.
Physical properties about Diphenylacetylene are: (1)ACD/LogP: 4.73 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 4.732 ; (4)ACD/LogD (pH 7.4): 4.732 ; (5)ACD/BCF (pH 5.5): 2323.521; (6)ACD/BCF (pH 7.4): 2323.521; (7)ACD/KOC (pH 5.5): 8934.78; (8)ACD/KOC (pH 7.4): 8934.78; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0Å2; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 58.734 cm3; (15)Molar Volume: 166.659 cm3; (16)Surface Tension: 46.359 dyne/cm; (17)Density: 1.069 g/cm3; (18)Flash Point: 126.043 °C; (19)Enthalpy of Vaporization: 51.844 kJ/mol; (20)Boiling Point: 300 °C at 760 mmHg; (21)Vapour Pressure: 0.002 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
People must avoid contact with skin and eyes and should not breathe dust.
People can use the following data to convert to the molecule structure.
1.SMILES: c1ccc(cc1)C#Cc2ccccc2
2.InChI: InChI=1/C14H10/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H
3.InChIKey: JRXXLCKWQFKACW-UHFFFAOYAN
4.Std. InChI: InChI=1S/C14H10/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H .