1-Indanone oxime

The 1H-Inden-1-one,2,3-dihydro-, oxime is an organic compound with the formula C₉H₉NO. The IUPAC name of this chemical is (NE)-N-(2,3-Dihydroinden-1-ylidene)hydroxylamine. With the CAS registry number 3349-60-8, it is also named as (1E)-Indan-1-one oxime. The product's categories are Indane/Indanone and Derivatives; Nitrogen compounds; Organic building blocks; Oximes. Besides, it should be stored in a closed, cool, dry place.

Physical properties about 1H-Inden-1-one,2,3-dihydro-, oxime are: (1)ACD/LogP: 1.77; (2)ACD/LogD (pH 5.5): 1.77; (3)ACD/LogD (pH 7.4): 1.77; (4)ACD/BCF (pH 5.5): 13.13; (5)ACD/BCF (pH 7.4): 13.13; (6)ACD/KOC (pH 5.5): 219.87; (7)ACD/KOC (pH 7.4): 219.85; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 21.59 Å²; (12)Index of Refraction: 1.617; (13)Molar Refractivity: 42.82 cm³; (14)Molar Volume: 122.2 cm³; (15)Polarizability: 16.97×10^-24 cm³; (16)Surface Tension: 45.5 dyne/cm; (17)Density: 1.2 g/cm³; (18)Flash Point: 179.9 °C; (19)Enthalpy of Vaporization: 56.99 kJ/mol; (20)Boiling Point: 299.7 °C at 760 mmHg; (21)Vapour Pressure: 0.000524 mmHg at 25 °C.

Preparation: this chemical can be prepared by Indan-1-one. This reaction will need reagent H₂NOH•HCl; K₂CO₃ and solvent Methanol; H₂O. The reaction need heating. The yield is about 85%.

Uses of 1H-Inden-1-one,2,3-dihydro-, oxime: it can be used to produce 8-Chloro-1,2-dithia-3-aza-cyclopenta[a]indene at temperature of 4 °C. It will need reagent S₂Cl₂; Ethyldiisopropylamine and solvent Tetrahydrofuran with reaction time of 75 hours. The yield is about 80%.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C9H9NO/c11-10-9-6-5-7-3-1-2-4-8(7)9/h1-4,11H,5-6H2/b10-9+
(2)InChIKey: ATEGUFMEFAGONB-MDZDMXLPBT
(3)Std. InChI: InChI=1S/C9H9NO/c11-10-9-6-5-7-3-1-2-4-8(7)9/h1-4,11H,5-6H2/b10-9+
(4)Std. InChIKey: ATEGUFMEFAGONB-MDZDMXLPSA-N