2,5-Cyclohexadiene-1,4-dione, 1,4-bis(O-benzoyloxime)
Basic information
- CAS
120-52-5- Standard SMILES
O=C(ON=C1C=CC(=NOC(=O)c2ccccc2)C=C1)c1ccccc1- InChIKey
WMVSVUVZSYRWIY-UHFFFAOYSA-N- Molecular formula
- C20H14N2O4
- Average molar mass
- 346.3 g/mol
- Monoisotopic mass
- 346.09535693
Names & identifiers
- Preferred name
- 2,5-Cyclohexadiene-1,4-dione, 1,4-bis(O-benzoyloxime)
- IUPAC
- [(4-benzoyloxyiminocyclohexa-2,5-dien-1-ylidene)amino] benzoate
- English name
- 4,4'-Dibenzoylquinone dioxime
- Molecular formula
- C20H14N2O4
- Molecular weight
- 346.34
Names & synonyms
2,5-Cyclohexadiene-1,4-dione, bis(O-benzoyloxime)2,5-Cyclohexadiene-1,4-dione, 1,4-bis(O-benzoyloxime)p-Benzoquinone bis(O-benzoyloxime)DTXSID20883312RefChem:444169DTXCID501022850120-52-54,4'-Dibenzoylquinone DioximeVulnoc DGMRhenocure BQp-Benzoquinone dioxime dibenzoateQuinone dioxime dibenzoate
Show more names
Dibenzoyl-p-quinone dioxime4，4-Dibenzoylquinone Dioximep-Quinonebis (o benzoyloxime)P P'-DIBENZOYLQUINONE DIOXIMEDibenzoyl quinone dioxime(DGM)PARAPARADIBENZOYLQUINONEDIOXIMEDIBENZOYL-P-BENZOQUINONE DIOXIME
Benzoquinone O,O-dibenzoyl dioximeDilbenzo P Q DDibenzo G-M-Fp-Dibenzoylquinone dioximep-Quinone dioxime dibenzoateDibenzoylquinone dioxime4,4-Dibenzoylquinone DioximeBenzoquinone dioxime dibenzoate
Database identifiers
- CAS
120-52-5- PubChem CID
- 67122
- DTXSID
DTXSID20883312- UNII
- 60O45GSZ5F
- EC Number
- 204-403-4
- Nikkaji
- J4.523C
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 77.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 564
Experimental & physicochemical properties
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physicochemical properties
- Boiling point
- 467.3 · 467.3±55.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- Water Solubility
- Practically insoluble in water
- form
- powder to crystal
- color
- Light gray to Brown to Black
- 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
- InChIKey
- WMVSVUVZSYRWIY-UHFFFAOYSA-N
- SMILES
- C1(=NOC(=O)C2=CC=CC=C2)C=CC(=NOC(=O)C2=CC=CC=C2)C=C1
- CAS DataBase Reference
- 120 · 120-52-5(CAS DataBase Reference)
- FDA 21 CFR
- 177.26 · 177.2600
- Indirect Additives used in Food Contact Substances
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H228 (100%): Flammable solid [Danger Flammable solids]
P210, P240, P241, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: 2,5-Cyclohexadiene-1,4-dione, bis(O-benzoyloxime)
Hazard Classes and CategoriesFlam. Sol. 1 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2914.69.9000
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS02
- safety_code
- 26-36
- Hazard statements
- H315-H302+H312+H332-H319-H228-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P210-P240-P241-P280-P370+P378-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,5-Cyclohexadiene-1,4-dione, 1,4-bis(O-benzoyloxime): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…