1-(2-FURYL)-1,3-BUTANEDIONE

The 1,3-Butanedione,1-(2-furanyl)-, with the CAS registry number 25790-35-6, is also known as 1-(2-Furyl)-2,3-butanedione. It belongs to the product category of Miscellaneous. Its EINECS registry number is 247-265-0. This chemical's molecular formula is C₈H₈O₃ and molecular weight is 152.15. What's more, its IUPAC name is 1-(Furan-2-yl)butane-1,3-dione.

Physical properties about this chemical are: (1)ACD/LogP: 1.37; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.37; (4)ACD/LogD (pH 7.4): 1.34; (5)ACD/BCF (pH 5.5): 6.47; (6)ACD/BCF (pH 7.4): 6.07; (7)ACD/KOC (pH 5.5): 132.45; (8)ACD/KOC (pH 7.4): 124.3; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 47.28 Å²; (13)Index of Refraction: 1.477; (14)Molar Refractivity: 37.87 cm³; (15)Molar Volume: 133.8 cm³; (16)Polarizability: 15.01×10^-24cm³; (17)Surface Tension: 37.3 dyne/cm; (18)Density: 1.136 g/cm³; (19)Flash Point: 110.3 °C; (20)Enthalpy of Vaporization: 48.9 kJ/mol; (21)Boiling Point: 251.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0202 mmHg at 25 °C.

Uses of 1,3-Butanedione,1-(2-furanyl): it is used to produce 3-Amino-1-furan-2-yl-but-2-en-1-one. The reaction occurs with reagent Ammonium acetate and other condition of heating. The solvent is Toluene. The yield is 77 %. The reaction time is 5 hours.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1occc1)CC(=O)C
(2) InChI: InChI=1/C8H8O3/c1-6(9)5-7(10)8-3-2-4-11-8/h2-4H,5H2,1H3
(3) InChIKey: GPYKJDYMMUIUFG-UHFFFAOYAB