CAS No.492-99-9,1,2-CYCLOHEXANEDIONE DIOXIME Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	492-99-9
Name:	1,2-CYCLOHEXANEDIONE DIOXIME
Article Data:	27

Formula:	C₆H₁₀N₂O₂
Molecular Weight:	142.158
Synonyms:	1,2-Cyclohexanedione,dioxime (6CI,7CI,8CI,9CI);1,2-Bis(hydroxyimino)cyclohexane;NSC 4076;Nioxim;Nioxime;Nyoxime;1,2-Cyclohexanedione dioxime;
EINECS:	207-769-3
Density:	1.36 g/cm³
Melting Point:	188-190 °C (dec.)
Boiling Point:	339 °C at 760 mmHg
Flash Point:	210.1 °C
Solubility:	Soluble in water.
Appearance:	beige to brown crystalline powder or needles
Hazard Symbols:	Xn
Risk Codes:	36/37/38-22
Safety:	22-24/25-36-26
PSA:	65.18000
LogP:	1.22080

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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