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2,4-Pentanedione, 2,4-dioxime

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2,4-Pentanedione, 2,4-dioxime

EINECS 218-472-3
CAS No. 2157-56-4 Density 1.13 g/cm3
PSA 65.18000 LogP 1.07670
Solubility Soluble in water Melting Point 144-149 °C
Formula C5H10N2O2 Boiling Point 298.8 °C at 760 mmHg
Molecular Weight 130.147 Flash Point 179.3 °C
Transport Information N/A Appearance white crystalline powder
Safety 24/25 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 2157-56-4 (2,4-Pentanedione dioxime) Hazard Symbols N/A
Synonyms

2,4-Pentanedione,dioxime (6CI,7CI,8CI,9CI);2,4-Pentanedione oxime;2,4-Pentanedioxime;Acetylacetone dioxime;NSC 1843;

Article Data 12

2,4-Pentanedione, 2,4-dioxime Specification

This chemical is called 2,4-Pentanedione, 2,4-dioxime, and it can also be named as 2,4-Pentanedione, dioxime. With the molecular formula of C5H10N2O2, its molecular weight is 130.15. The CAS registry number of this chemical is 2157-56-4.

Other characteristics of the 2,4-Pentanedione, 2,4-dioxime can be summarised as followings: (1)ACD/LogP: 0.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.16; (4)ACD/LogD (pH 7.4): 0.16; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29.23; (8)ACD/KOC (pH 7.4): 29.22; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 43.18 Å2; (13)Index of Refraction: 1.486; (14)Molar Refractivity: 33.02 cm3; (15)Molar Volume: 115 cm3; (16)Polarizability: 13.09×10-24cm3; (17)Surface Tension: 36.7 dyne/cm; (18)Density: 1.13 g/cm3; (19)Flash Point: 179.3 °C; (20)Enthalpy of Vaporization: 59.27 kJ/mol; (21)Boiling Point: 298.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000294 mmHg at 25°C.

Production method of this chemical: The 2,4-Pentanedione, 2,4-dioxime could be obtained by the reactant of pentane-2,4-dione. This reaction needs the reagent of hydroxylamine.

The 2,4-Pentanedione, 2,4-dioxime could be obtained by the reactant of pentane-2,4-dione

Uses of this chemical: The pentane-2,4-dione could be obtained by the reactant of 2,4-Pentanedione, 2,4-dioxime. This reaction needs the reagents of H2O, NaBiO3, silica gel. The yield is 72 %. This reaction should be taken for 1 minute.

The pentane-2,4-dione could be obtained by the reactant of 2,4-Pentanedione, 2,4-dioxime

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. Avoid contacting with skin and water.

You can still convert the following datas into molecular structure: 
1.SMILES: O\N=C(\C)CC(=N\O)\C
2.InChI: InChI=1/C5H10N2O2/c1-4(6-8)3-5(2)7-9/h8-9H,3H2,1-2H3/b6-4-,7-5+
3.InChIKey: WBRYLZHYOFBTPD-XGXWUAJZBE

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