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Biphenylene

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Name

Biphenylene

EINECS N/A
CAS No. 259-79-0 Density 1.19 g/cm3
PSA 0.00000 LogP 3.33400
Solubility N/A Melting Point 113-114 °C(lit.)
Formula C12H8 Boiling Point 262.417 °C at 760 mmHg
Molecular Weight 152.196 Flash Point 99.575 °C
Transport Information N/A Appearance N/A
Safety 61-29-24/25 Risk Codes 51/53
Molecular Structure Molecular Structure of 259-79-0 (Biphenylene) Hazard Symbols N
Synonyms

Cyclobutadibenzene;Dibenzocyclobutadiene;Diphenylene;NSC 101862;

Article Data 25

Biphenylene Specification

This chemical is called Biphenylene, and its CAS registry number is 259-79-0. With the molecular formula of C12H8, its molecular weight is 152.19. Additionally, its product categories are Biphenyl derivatives; Biphenyl & Diphenyl ether. Generally, Biphenylene is probably best known as the dimer of benzyne.  

Other characteristics of the Biphenylene can be summarised as followings: (1)ACD/LogP: 3.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.82; (4)ACD/LogD (pH 7.4): 3.82; (5)ACD/BCF (pH 5.5): 470.799; (6)ACD/BCF (pH 7.4): 470.799; (7)ACD/KOC (pH 5.5): 2849.83; (8)ACD/KOC (pH 7.4): 2849.83; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.799; (14)Molar Refractivity: 54.622 cm3; (15)Molar Volume: 127.862 cm3; (16)Polarizability: 21.654×10-24cm3; (17)Surface Tension: 53.531 dyne/cm; (18)Density: 1.19 g/cm3; (19)Flash Point: 99.575 °C; (20)Enthalpy of Vaporization: 48.002 kJ/mol; (21)Boiling Point: 262.417 °C at 760 mmHg; (22)Vapour Pressure: 0.018 mmHg at 25°C.

Production method of this chemical: The Biphenylene could be obtained by the reactant of 2,3-bis(trimethylsilyl)-Biphenylene. This reaction needs the reagent of trifluoroacetic acid, and the solvent of CH2Cl2. The yield is 73 %. In addition, this reaction should be taken for 1 hour.

Uses of this chemical: The 2-bromo-Biphenylene could be obtained by the reactant of Biphenylene. This reaction needs the reagent of CCl4, pyridine, bromine.

When you are using this chemical, please be cautious about it as the following: This chemical is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Avoid releasing to the environment and contacting with skin and eyes. Refer to special instructions / safety data sheets.

You can still convert the following datas into molecular structure:
1.SMILES: c1ccc-2c(c1)-c3c2cccc3
2.InChI: InChI=1/C12H8/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11/h1-8H
3.InChIKey: IFVTZJHWGZSXFD-UHFFFAOYAR

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