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5007-50-1

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Basic Information
CAS No.: 5007-50-1
Name: 1-Furan-2-yl-ethanone oxime
Article Data: 22
Molecular Structure:
Molecular Structure of 5007-50-1 (1-Furan-2-yl-ethanone oxime)
Formula: C6H7NO2
Molecular Weight: 125.127
Synonyms: ART-CHEM-BB B006531;AKOS B006531;1-(2-FURYL)ETHANONE OXIME;1-(2-FURYL)-1-ETHANONE OXIME;1-FURAN-2-YL-ETHANONE OXIME;(1Z)-1-(2-Furyl)ethanone oxime
Density: 1.15 g/cm3
Melting Point: 104 °C
Boiling Point: 218.8 °C at 760 mmHg
Flash Point: 86.1 °C
PSA: 45.73000
LogP: 1.47780
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Specification

The 1-Furan-2-yl-ethanone oxime is an organic compound with the formula C6H7NO2. The IUPAC name of this chemical is (NE)-N-[1-(furan-2-yl)ethylidene]hydroxylamine. With the CAS registry number 5007-50-1, it is also named as 1-(2-furyl)-1-ethanone oxime.

Physical properties about 1-Furan-2-yl-ethanone oxime are: (1)ACD/LogP: 0.82; (2)#H bond acceptors: 3; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 34.73 Å2; (6)Index of Refraction: 1.518; (7)Molar Refractivity: 32.75 cm3; (8)Molar Volume: 107.9 cm3; (9)Polarizability: 12.98×10-24cm3; (10)Surface Tension: 38.1 dyne/cm; (11)Density: 1.15 g/cm3; (12)Flash Point: 86.1 °C; (13)Enthalpy of Vaporization: 48.12 kJ/mol; (14)Boiling Point: 218.8 °C at 760 mmHg; (15)Vapour Pressure: 0.0716 mmHg at 25°C.

Uses of 1-Furan-2-yl-ethanone oxime: it can be used to produce 1-furan-2-yl-ethanone O-butyl-oxime at temperature of 100 °C. This reaction is a kind of Alkylation. It will need reagents K2CO3, KI, catalyst 18-crown-6 and solvent toluene with reaction time of 13 hours. The yield is about 71%.

1-Furan-2-yl-ethanone oxime and 1-chloro-butane can be used to produce 1-furan-2-yl-ethanone O-butyl-oxime

You can still convert the following datas into molecular structure:
(1)SMILES: O\N=C(\c1occc1)C
(2)InChI: InChI=1/C6H7NO2/c1-5(7-8)6-3-2-4-9-6/h2-4,8H,1H3/b7-5+
(3)InChIKey: RCUXWEHXMOUJCX-FNORWQNLBX
(4)Std. InChI: InChI=1S/C6H7NO2/c1-5(7-8)6-3-2-4-9-6/h2-4,8H,1H3/b7-5+
(5)Std. InChIKey: RCUXWEHXMOUJCX-FNORWQNLSA-N