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| CAS No.: | 768-22-9 |
|---|---|
| Name: | Indene oxide |
| Article Data: | 32 |
| Molecular Structure: | |
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| Formula: | C9H8O |
| Molecular Weight: | 132.162 |
| Synonyms: | Indan,1,2-epoxy- (6CI,7CI,8CI);1,2-Epoxy-2,3-dihydroindene;1,2-Epoxyindan;1,2-Epoxyindane;1H-Indene, 1,2-epoxy-2,3-dihydro-;Indene epoxide;Indeneoxide;Indene-1,2-oxide;NSC 31261; |
| Density: | 1.22 g/cm3 |
| Melting Point: | 24.5°C |
| Boiling Point: | 226.9 °C at 760 mmHg |
| Flash Point: | 86.3 °C |
| PSA: | 12.53000 |
| LogP: | 1.68260 |
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- Total:28 Page 1 of 1 1
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Specification
The Indene oxide with the cas number 768-22-9 is also called 1,2-Epoxy-2,3-dihydroindene. Both the systematic name and IUPAC name is 6,6a-dihydro-1aH-indeno[1,2-b]oxirene. The molecular formula of this chemical is C9H8O. The product's category is pharmacetical.
The properties of the chemical are: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.5; (4)ACD/LogD (pH 7.4): 1.5; (5)ACD/BCF (pH 5.5): 8.14; (6)ACD/BCF (pH 7.4): 8.14; (7)ACD/KOC (pH 5.5): 156.11; (8)ACD/KOC (pH 7.4): 156.11; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.53 Å2; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 38.08 cm3; (15)Molar Volume: 108.3 cm3; (16)Polarizability: 15.09×10-24cm3; (17)Surface Tension: 49.1 dyne/cm ; (18)Enthalpy of Vaporization: 44.46 kJ/mol ; (19)Vapour Pressure: 0.12 mmHg at 25°C.
Preparation: This chemical can be prepared by (+-)-trans-2-bromo-indan-1-ol. This reaction needs reagent DBU and solvent CH2Cl2 at ambient temperature. The yield is 63%.
Uses: This chemical can prepare indan-2-one. This reaction needs reagent magnesium bromide etherate.
You can still convert the following datas into molecular structure:
(1)SMILES: O2C3c1ccccc1CC23
(2)InChI: InChI=1/C9H8O/c1-2-4-7-6(3-1)5-8-9(7)10-8/h1-4,8-9H,5H2
(3)InChIKey: UKGCFMYYDATGNN-UHFFFAOYAI