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102575-26-8

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Basic Information
CAS No.: 102575-26-8
Name: Tricyclo[4.1.1.07,8]oct-2-ene
Molecular Structure:
Molecular Structure of 102575-26-8 (Tricyclo[4.1.1.07,8]oct-2-ene)
Formula: C8H10
Molecular Weight: 106.17
Synonyms: Tricyclo[4.1.1.07,8]oct-2-ene
Density: 1.091 g/cm3
Boiling Point: 135.2 °C at 760 mmHg
Flash Point: 16.1 °C
PSA: 0.00000
LogP: 1.82840
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Specification

This chemical is called Tricyclo(4.1.1.07,8)oct-2-ene, and its CAS registry number is 102575-26-8. With the molecular formula of C8H10, its molecular weight is 106.17.

Other characteristics of the Tricyclo(4.1.1.07,8)oct-2-ene can be summarised as followings: (1)ACD/LogP: 2.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.6; (4)ACD/LogD (pH 7.4): 2.6; (5)ACD/BCF (pH 5.5): 55.97; (6)ACD/BCF (pH 7.4): 55.97; (7)ACD/KOC (pH 5.5): 620.6; (8)ACD/KOC (pH 7.4): 620.6; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.585; (13)Molar Refractivity: 32.6 cm3; (14)Molar Volume: 97.2 cm3; (15)Polarizability: 12.92×10-24cm3; (16)Surface Tension: 43 dyne/cm; (17)Density: 1.091 g/cm3; (18)Flash Point: 16.1 °C; (19)Enthalpy of Vaporization: 35.72 kJ/mol; (20)Boiling Point: 135.2 °C at 760 mmHg; (21)Vapour Pressure: 9.67 mmHg at 25°C.

Production method of this chemical: The Tricyclo(4.1.1.07,8)oct-2-ene could be obtained by the reactant of 4-bromotricyclo[5.1.0.02,8]oct-3-ene. This reaction needs the reagent of Na, t-BuOH, and the solvent of diethyl ether. The yield is 49 %. In addition, this reaction should be taken for 48 hours. The other condition is heating.

The Tricyclo(4.1.1.07,8)oct-2-ene could be obtained by the reactant of 4-bromotricyclo[5.1.0.02,8]oct-3-ene

You can still convert the following datas into molecular structure: 
1.SMILES: C\2=C\C1C3C1C3CC/2
2.InChI: InChI=1/C8H10/c1-2-4-6-7-5(3-1)8(6)7/h1,3,5-8H,2,4H2
3.InChIKey: NRLYGERJPCINJA-UHFFFAOYAP