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1,2-Cyclohexanedione, 1,2-dioxime

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1,2-Cyclohexanedione, 1,2-dioxime

EINECS 207-769-3
CAS No. 492-99-9 Density 1.36 g/cm3
PSA 65.18000 LogP 1.22080
Solubility Soluble in water. Melting Point 188-190 °C (dec.)
Formula C6H10N2O2 Boiling Point 339 °C at 760 mmHg
Molecular Weight 142.158 Flash Point 210.1 °C
Transport Information N/A Appearance beige to brown crystalline powder or needles
Safety 22-24/25-36-26 Risk Codes 36/37/38-22
Molecular Structure Molecular Structure of 492-99-9 (1,2-CYCLOHEXANEDIONE DIOXIME) Hazard Symbols HarmfulXn
Synonyms

1,2-Cyclohexanedione,dioxime (6CI,7CI,8CI,9CI);1,2-Bis(hydroxyimino)cyclohexane;NSC 4076;Nioxim;Nioxime;Nyoxime;1,2-Cyclohexanedione dioxime;

Article Data 27

1,2-Cyclohexanedione, 1,2-dioxime Specification

This chemical is called 1,2-Cyclohexanedione, 1,2-dioxime, and it can also be named as 1,2-Cyclohexanedione, dioxime. With the molecular formula of C6H10N2O2, its molecular weight is 142.16. The CAS registry number of this chemical is 492-99-9. Additionally, this chemical should be stored at the temperature of 2-8°C.

Other characteristics of the 1,2-Cyclohexanedione, 1,2-dioxime can be summarised as followings: (1)ACD/LogP: 0.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.15; (4)ACD/LogD (pH 7.4): 0.15; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 28.87; (8)ACD/KOC (pH 7.4): 28.86; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 65.18 Å2; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 35.45 cm3; (15)Molar Volume: 104.4 cm3; (16)Polarizability: 14.05×10-24cm3; (17)Surface Tension: 53.2 dyne/cm; (18)Density: 1.36 g/cm3; (19)Flash Point: 210.1 °C; (20)Enthalpy of Vaporization: 67.47 kJ/mol; (21)Boiling Point: 339 °C at 760 mmHg; (22)Vapour Pressure: 6.34E-06 mmHg at 25°C. 

Production method of this chemical: The 1,2-Cyclohexanedione, 1,2-dioxime could be obtained by the reactant of 2,2-dimethyl-4,5,6,7-tetrahydro-2H-benzimidazole 1,3-dioxide. This reaction needs the reagent of hydroxylamine hydrochloride, and the solvent of ethanol. The yield is 50 %. In addition, this reaction should be taken for 2 hours. The other condition is heating.

Uses of this chemical: The cyclohexane-1,2-dione could be obtained by the reactant of 1,2-Cyclohexanedione, 1,2-dioxime. This reaction needs the reagent of Cu(NO3)2/silica, and the solvent of CCl4. The yield is 85 %. This reaction should be taken for 50 minutes at the temperature of 25 °C.

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. Do not breathe dust. Avoid contacting with skin and eyes. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. 

You can still convert the following datas into molecular structure:
1.SMILES: O\N=C1\CCCC\C1=N\O
2.InChI: InChI=1/C6H10N2O2/c9-7-5-3-1-2-4-6(5)8-10/h9-10H,1-4H2/b7-5-,8-6?
3.InChIKey: CUNNCKOPAWXYDX-WDFIMKRQBN

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