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| CAS No.: | 4488-57-7 |
|---|---|
| Name: | 5,6-DIHYDRODICYCLOPENTADIENE |
| Molecular Structure: | |
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| Formula: | C10H14 |
| Molecular Weight: | 134.221 |
| Synonyms: | 4,7-Methanoindene,3a,4,5,6,7,7a-hexahydro- (6CI,7CI,8CI);Dihydrodicyclopentadiene;NSC 22462;Tricyclo[5.2.1.0(2,6)]dec-3-ene; |
| EINECS: | 224-778-8 |
| Density: | 1.011 g/cm3 |
| Melting Point: | 49 °C |
| Boiling Point: | 185.6 °C at 760 mmHg |
| Flash Point: | 53.5 °C |
| Safety: | 22-24/25 |
| Transport Information: | UN 1993 |
| PSA: | 0.00000 |
| LogP: | 2.60860 |
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Specification
The 4, 7-Methano-1H-indene, 3a, 4, 5, 6, 7, 7a-hexahydro-, with the CAS registry number 4488-57-7, is also known as Tricyclo(5.2.1.0(2,6))dec-4-ene. And its EINECS registry number is 224-778-8. This chemical's molecular formula is C10H14 and molecular weight is 134.22. What's more, its systematic name is 3a, 4, 5, 6, 7, 7a-Hexahydro-1H-4, 7-methanoindene. In addition, it must be stored in airtight containers and placed in a dry, ventilated place. Meanwhile, it should be kept away from light. Besides, the dust of this chemical can not be breathed. And you should avoid contacting with skin and eyes.
Physical properties about 4, 7-Methano-1H-indene, 3a, 4, 5, 6, 7, 7a-hexahydro- are: (1)ACD/LogP: 3.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.73; (4)ACD/LogD (pH 7.4): 3.73; (5)ACD/BCF (pH 5.5): 403.34; (6)ACD/BCF (pH 7.4): 403.34; (7)ACD/KOC (pH 5.5): 2551.21; (8)ACD/KOC (pH 7.4): 2551.21; (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: 1.542; (14)Molar Refractivity: 41.82 cm3; (15)Molar Volume: 132.7 cm3; (16)Polarizability: 16.58×10-24 cm3; (17)Surface Tension: 37.8 dyne/cm; (18)Density: 1.011 g/cm3; (19)Flash Point: 53.5 °C; (20)Enthalpy of Vaporization: 40.46 kJ/mol; (21)Boiling Point: 185.6 °C at 760 mmHg; (22)Vapour Pressure: 0.947 mmHg at 25 °C.
Preparation of 4, 7-Methano-1H-indene, 3a, 4, 5, 6, 7, 7a-hexahydro-: this chemical is prepared by Endo-dicyclopentadiene at ambient temperature. This reaction needs reagent H2, catalyst Pd and solvent Diethyl ether. The yield is about 35 %.
You can still convert the following datas into molecular structure:
(1) SMILES: C\2=C\C3C1CCC(C1)C3C/2
(2) InChI: InChI=1/C10H14/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,7-10H,3-6H2
(3) InChIKey: HANKSFAYJLDDKP-UHFFFAOYAF