3-Methoxy-4-nitropyridine 1-oxide - ≥95% , CAS No.19355-04-5

CAS: 19355-04-5 Cat. No.: M587915 Formula: C₆H₆N₂O₄ Peso molecolare: 170.12

GRADE & PURITY ≥95%

Synonyms

SCHEMBL2885107 | 3-Methoxy-4-nitropyridine N-oxide | 3-Methoxy-4-nitro-1-oxo-1lambda~5~-pyridine | FT-0731387 | SY317056 | 3-Methoxy-4-nitropyridine-N-oxide | DTXSID70563738 | D70704 | YTTSNODVMTUELN-UHFFFAOYSA-N | 3-methoxy-4-nitro-1-oxido-pyridin-1-ium

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

SCHEMBL2885107 | 3-Methoxy-4-nitropyridine N-oxide | 3-Methoxy-4-nitro-1-oxo-1lambda~5~-pyridine | FT-0731387 | SY317056 | 3-Methoxy-4-nitropyridine-N-oxide | DTXSID70563738 | D70704 | YTTSNODVMTUELN-UHFFFAOYSA-N | 3-methoxy-4-nitro-1-oxido-pyridin-1-ium

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

Sorrisi canonici

COC1=C(C=C[N+](=C1)[O-])[N+](=O)[O-]

IUPAC Name

3-methoxy-4-nitro-1-oxidopyridin-1-ium

InChIKey

YTTSNODVMTUELN-UHFFFAOYSA-N

INCHI

1S/C6H6N2O4/c1-12-6-4-7(9)3-2-5(6)8(10)11/h2-4H,1H3

Isomeri SMILES

COC1=C(C=C[N+](=C1)[O-])[N+](=O)[O-]

CAS alternativo

19355-04-5

Peso molecolare

170.12

Reaxy-Rn

162823

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=162823&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Classe Allyl-type 1,3-dipolar organic compounds
      • Subclass Organic nitro compounds
        • Level5 C-nitro compounds
          • Level6 Nitroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Classe: Allyl-type 1,3-dipolar organic compounds
• Subclass: Organic nitro compounds
• Intermediate Tree Nodes: C-nitro compounds
• Direct Parent: Nitroaromatic compounds
• Alternative Parents: Alkyl aryl ethers Pyridinium derivatives Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitroaromatic compound - Alkyl aryl ether - Pyridine - Pyridinium - Heteroaromatic compound - Ether - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Organic salt - Organonitrogen compound - Hydrocarbon derivative - Organic cation - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Peso molecolare: 170.120 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 170.033 Da
• Monoisotopic Mass: 170.033 Da
• Topological Polar Surface Area: 80.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 169.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 19355-04-5, the molecular formula is C6H6N2O4, and the molecular weight is 170.12 g/mol. InChIKey YTTSNODVMTUELN-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.