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CAS No.: | 7275-43-6 |
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Name: | 2,2'-DIPYRIDYL N,N'-DIOXIDE |
Article Data: | 47 |
Molecular Structure: | |
Formula: | C10H8N2O2 |
Molecular Weight: | 188.186 |
Synonyms: | 2,2-Dipyridyl dioxide;(6Z)-6-(1-oxidopyridin-2-ylidene)pyridine 1-oxide;2,2-BIPYRIDINE, 1,1-DIOXIDE;2-(1-oxo-3,4,5,6-tetrahydro-2H-pyridin-2-yl)-6H-pyridine 1-oxide; |
EINECS: | 224-566-5 |
Density: | 1.2577 (rough estimate) |
Melting Point: | 296-298 °C(lit.) |
Boiling Point: | 296-298 °C(lit.) |
Solubility: | Soluble in water |
Appearance: | off-white to cream powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 50.92000 |
LogP: | 2.21060 |
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The 2,2'-Dipyridyl N,N'-dioxide with the cas number 7275-43-6 is also called 6-(1-oxidopyridin-2-ylidene)pyridine 1-oxide. The IUPAC name is (2Z)-2-(1-oxidopyridin-2-ylidene)pyridin-1-ium 1-oxide. Its molecular formula is C10H8N2O2. This chemical belongs to the following product categories: (1)Miscellaneous; (2)Heterocyclic Compounds.
Properties Computed from Structure: (1)XLogP3-AA: 0.7; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 3; (4)Rotatable Bond Count: 0; (5)Exact Mass: 188.058578; (6)MonoIsotopic Mass: 188.058578; (7)Topological Polar Surface Area: 46.4; (8)Heavy Atom Count: 14; (9)Formal Charge: 0; (10)Complexity: 376; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 0; (14)Defined Bond StereoCenter Count: 1; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 1.
Preparation: This chemical can be prepared by [2,2']bipyridinyl. This reaction needs reagent aqueous H2O2 and acetic acid.
Uses: This chemical can prepare 4,4'-dinitro-[2,2']bipyridinyl 1,1'-dioxide. This reaction needs reagent fuming H2SO4 and aqueous HNO3.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-]N\2C(=C1\C=C/C=C\[N+]1=O)\C=C/C=C/2
(2)InChI: InChI=1/C10H8N2O2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H/b10-9-
(3)InChIKey: FERMVCULDZOVOJ-KTKRTIGZBK
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
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mouse | LD50 | intraperitoneal | 2628mg/kg (2628mg/kg) | Toxicon. Vol. 23, Pg. 815, 1985. |