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Diphenylacetylene

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Name

Diphenylacetylene

EINECS 207-926-6
CAS No. 501-65-5 Density 1.069 g/cm3
PSA 0.00000 LogP 3.08640
Solubility Miscible with ether and hot alcohol. Immiscible with water. Melting Point 59-61 °C
Formula C14H10 Boiling Point 300 °C at 760 mmHg
Molecular Weight 178.233 Flash Point 126.043 °C
Transport Information N/A Appearance white crystals
Safety 24/25-22 Risk Codes N/A
Molecular Structure Molecular Structure of 501-65-5 (Diphenylacetylene) Hazard Symbols N/A
Synonyms

Acetylene,diphenyl- (8CI);1,1'-(1,2-Ethynediyl)bis[benzene];1,2-Diphenylacetylene;1,2-Diphenylethyne;Diphenylacetylene;Diphenylethyne;Ethyne, diphenyl-;NSC5185;Tolan;Tolane;

Article Data 933

Diphenylacetylene 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 .

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