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2,5-Cyclohexadiene-1,4-dione,1,4-bis(O-benzoyloxime)

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Name

2,5-Cyclohexadiene-1,4-dione,1,4-bis(O-benzoyloxime)

EINECS 204-403-4
CAS No. 120-52-5 Density 1.21 g/cm3
PSA 77.32000 LogP 3.53840
Solubility Practically insoluble in water Melting Point -47 °C
Formula C20H14N2O4 Boiling Point 467.3 °C at 760 mmHg
Molecular Weight 346.342 Flash Point 190 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 120-52-5 (4,4'-DIBENZOYLQUINONE DIOXIME) Hazard Symbols N/A
Synonyms

2,5-Cyclohexadiene-1,4-dione,bis(O-benzoyloxime) (9CI);p-Benzoquinone, bis(O-benzoyloxime) (6CI,7CI,8CI);1,4-Bis(benzoyloxyimino)cyclohexa-2,5-diene;Actor DQ;Benzoquinone dioximedibenzoate;Dibenzo G-M-F;Dibenzoyl-p-benzoquinone dioxime;Dibenzoyl-p-quinone dioxime;Dilbenzo P Q D;NSC 113483;Quinone dioximedibenzoate;Rhenocure BQ;Vulnoc DGM;p-Benzoquinone dioxime dibenzoate;p-Dibenzoylquinone dioxime;p-Quinone dioxime dibenzoate;

 

2,5-Cyclohexadiene-1,4-dione,1,4-bis(O-benzoyloxime) Specification

The 2,5-Cyclohexadiene-1,4-dione,1,4-bis(O-benzoyloxime), with the CAS registry number 120-52-5, is also known as [Cyclohexa-2,5-diene-1,4-diylidenebis(nitrilooxy)]bis(phenylmethanone). It belongs to the product categories of Industrial/Fine Chemicals; Organics. Its EINECS registry number is 204-403-4. This chemical's molecular formula is C20H14N2O4 and molecular weight is 346.34. What's more, both its IUPAC name and systematic name are the same which is called [(4-Benzoyloxyiminocyclohexa-2,5-dien-1-ylidene)amino] benzoate. It is used as vulcanized agent of butyl rubber, natural rubber and styrenebutadiene rubber.

Physical properties about 2,5-Cyclohexadiene-1,4-dione,1,4-bis(O-benzoyloxime) are: (1)ACD/LogP: 4.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.9; (4)ACD/LogD (pH 7.4): 4.9; (5)ACD/BCF (pH 5.5): 3095.82; (6)ACD/BCF (pH 7.4): 3095.82; (7)ACD/KOC (pH 5.5): 10972.16; (8)ACD/KOC (pH 7.4): 10972.16; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 77.32 Å2; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 97.66 cm3; (15)Molar Volume: 285.9 cm3; (16)Surface Tension: 47.6 dyne/cm; (17)Density: 1.21 g/cm3; (18)Flash Point: 190 °C; (19)Enthalpy of Vaporization: 72.93 kJ/mol; (20)Boiling Point: 467.3 °C at 760 mmHg; (21)Vapour Pressure: 6.57E-09 mmHg at 25 °C.

Preparation of 2,5-Cyclohexadiene-1,4-dione,1,4-bis(O-benzoyloxime): this chemical can be prepared by Benzoyl chloride with Bqnp quinone dioxime.

2,5-Cyclohexadiene-1,4-dione,1,4-bis(O-benzoyloxime) can be prepared by benzoyl chloride with bqnp quinone dioxime.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc(cc1)C(=O)ON=C2C=CC(=NOC(=O)c3ccccc3)C=C2
(2) InChI: InChI=1S/C20H14N2O4/c23-19(15-7-3-1-4-8-15)25-21-17-11-13-18(14-12-17)22-26-20(24)16-9-5-2-6-10-16/h1-14H/b21-17-,22-18?
(3) InChIKey: WMVSVUVZSYRWIY-CYXSCQSNSA-N

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