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| CAS No.: | 279-23-2 |
|---|---|
| Name: | NORBORNANE |
| Molecular Structure: | |
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| Formula: | C7H12 |
| Molecular Weight: | 96.1723 |
| Synonyms: | Norbornane(6CI,7CI,8CI);1,4-Endomethylenecyclohexane;Cyclohexane, 1,4-endo-methylene-;NSC 91457;Norbornylane;Norcamphane;Norfenchane;Norsantane; |
| EINECS: | 205-996-2 |
| Density: | 0.914 g/cm3 |
| Melting Point: | 85-88 °C(lit.) |
| Boiling Point: | 112.6 °C at 760 mmHg |
| Flash Point: | -0.2±11.7℃ |
| Appearance: | white solid |
| PSA: | 0.00000 |
| LogP: | 2.19650 |
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Specification
This chemical is called Bicyclo[2.2.1]heptane, and it can also be named as Norbornane. With the molecular formula of C7H12, its molecular weight is 96.17. The CAS registry number of this chemical is 279-23-2. Additionally, its product categories are Alkanes; Cyclic; Organic Building Blocks.
Other characteristics of the Bicyclo[2.2.1]heptane can be summarised as followings: (1)ACD/LogP: 3.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.24; (4)ACD/LogD (pH 7.4): 3.24; (5)ACD/BCF (pH 5.5): 170.63; (6)ACD/BCF (pH 7.4): 170.63; (7)ACD/KOC (pH 5.5): 1378.22; (8)ACD/KOC (pH 7.4): 1378.22; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0 ; (12)Index of Refraction: 1.488; (13)Molar Refractivity: 30.33 cm3; (14)Molar Volume: 105.2 cm3; (15)Polarizability: 12.02×10-24cm3; (16)Surface Tension: 31.3 dyne/cm; (17)Density: 0.914 g/cm3; (18)Enthalpy of Vaporization: 33.66 kJ/mol; (19)Boiling Point: 112.6 °C at 760 mmHg; (20)Vapour Pressure: 25.4 mmHg at 25°C.
Production method of this chemical: The Bicyclo[2.2.1]heptane could be obtained by the reactant of norborn-2-ene. This reaction needs the reagents of H2, bicyclo<2.2.1>heptadiene-rhodium complex, and the solvent of methanol.
![The Bicyclo[2.2.1]heptane could be obtained by the reactant of norborn-2-ene](/UserFilesUpload/production method of Bicyclo[2_2_1]heptane.jpg)
Uses of this chemical: The Bicyclo[2.2.1]heptane could react with allyl-tert-butyl peroxide, and obtain the (epoxy-2,3 propyl)-2 norbornane. The yield is 30 %. In addition, this reaction should be taken for 10 hours at the temperature of 140 °C.
![The Bicyclo[2.2.1]heptane could react with allyl-tert-butyl peroxide, and obtain the (epoxy-2,3 propyl)-2 norbornane](/UserFilesUpload/uses of Bicyclo[2_2_1]heptane.jpg)
You can still convert the following datas into molecular structure:
1.SMILES: C1CC2CCC1C2
2.InChI: InChI=1/C7H12/c1-2-7-4-3-6(1)5-7/h6-7H,1-5H2
3.InChIKey: UMRZSTCPUPJPOJ-UHFFFAOYAR