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Indene oxide

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Name

Indene oxide

EINECS N/A
CAS No. 768-22-9 Density 1.22 g/cm3
PSA 12.53000 LogP 1.68260
Solubility N/A Melting Point 24.5°C
Formula C9H8O Boiling Point 226.9 °C at 760 mmHg
Molecular Weight 132.162 Flash Point 86.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 768-22-9 (Indene oxide) Hazard Symbols N/A
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;

Article Data 32

Indene oxide 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

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