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| CAS No.: | 5597-27-3 |
|---|---|
| Name: | 3-METHYLENE-2-NORBORNANONE |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C8H10O |
| Molecular Weight: | 122.167 |
| Synonyms: | 2-Norbornanone,3-methylene- (6CI,7CI,8CI);(?à)-3-Methylene-2-norbornanone;3-Methylene-2-norbornanone;3-Methylenebicyclo[2.2.1]heptan-2-one;Methylenenorcamphor;NSC 91505; |
| EINECS: | 5597-27-3 |
| Density: | 1.04 g/cm3 |
| Melting Point: | 69-71 ºC |
| Boiling Point: | 184.9 °C at 760 mmHg |
| Flash Point: | 72.5 °C |
| Appearance: | clear brown liquid |
| Hazard Symbols: | R10:Flammable.; |
| Risk Codes: | 10 |
| Safety: | 16 |
| PSA: | 17.07000 |
| LogP: | 1.54160 |
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- Total:12 Page 1 of 1 1
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Specification
The Bicyclo[2.2.1]heptan-2-one,3-methylene-, with the CAS registry number 5597-27-3, is also known as 3-Methylene-2-norbornanone. It belongs to the product categories of C7 to C8; Carbonyl Compounds; Ketones. Its EINECS registry number is 227-009-4. This chemical's molecular formula is C8H10O and molecular weight is 122.16. What's more, both its IUPAC name and systematic name are the same which is called 2-Methylidenebicyclo[2.2.1]heptan-3-one.
Besides, it is flammable, we should keep away from sources of ignition. In addition, it must be stored in airtight containers and placed in a dry, ventilated place.
Physical properties about Bicyclo[2.2.1]heptan-2-one,3-methylene- are: (1)ACD/LogP: 0.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.84; (4)ACD/LogD (pH 7.4): 0.84; (5)ACD/BCF (pH 5.5): 2.57; (6)ACD/BCF (pH 7.4): 2.57; (7)ACD/KOC (pH 5.5): 68.42; (8)ACD/KOC (pH 7.4): 68.42; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.504; (14)Molar Refractivity: 34.6 cm3; (15)Molar Volume: 116.7 cm3; (16)Polarizability: 13.71×10-24 cm3; (17)Surface Tension: 32 dyne/cm; (18)Density: 1.04 g/cm3; (19)Flash Point: 72.5 °C; (20)Enthalpy of Vaporization: 42.12 kJ/mol; (21)Boiling Point: 184.9 °C at 760 mmHg; (22)Vapour Pressure: 0.715 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1\C(=C)C2CC1CC2
(2) InChI: InChI=1/C8H10O/c1-5-6-2-3-7(4-6)8(5)9/h6-7H,1-4H2
(3) InChIKey: FNOOZJAPZFHNCW-UHFFFAOYAQ