2,6-Dibromo-3-methoxy-5-nitropyridine - ≥97% , CAS No.79491-46-6

CAS: 79491-46-6 Cat. No.: D195090 Formula: C₆H₄Br₂N₂O₃ Peso molecolare: 311.92 Numero EC: 813-542-5

GRADE & PURITY ≥97%

Synonyms

AKOS016012770 | SCHEMBL2144114 | EN300-173777 | DTXSID70509111 | C6H4Br2N2O3 | FT-0714862 | A864848 | DS-5336 | SY322916 | UHFLJHCYEBYJIT-UHFFFAOYSA-N | MFCD18632733 | 2,6-Dibromo-3-methoxy-5-nitropyridine

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

AKOS016012770 | SCHEMBL2144114 | EN300-173777 | DTXSID70509111 | C6H4Br2N2O3 | FT-0714862 | A864848 | DS-5336 | SY322916 | UHFLJHCYEBYJIT-UHFFFAOYSA-N | MFCD18632733 | 2,6-Dibromo-3-methoxy-5-nitropyridine

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

• Sorrisi canonici: COC1=C(N=C(C(=C1)[N+](=O)[O-])Br)Br
• IUPAC Name: 2,6-dibromo-3-methoxy-5-nitropyridine
• InChIKey: UHFLJHCYEBYJIT-UHFFFAOYSA-N
• INCHI: 1S/C6H4Br2N2O3/c1-13-4-2-3(10(11)12)5(7)9-6(4)8/h2H,1H3
• Isomeri SMILES: COC1=C(N=C(C(=C1)[N+](=O)[O-])Br)Br
• Peso molecolare: 311.92
• Reaxy-Rn: 4184949
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4184949&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: Polyhalopyridines Alkyl aryl ethers 2-halopyridines Aryl bromides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitroaromatic compound - Polyhalopyridine - Alkyl aryl ether - 2-halopyridine - Aryl bromide - Aryl halide - Pyridine - Heteroaromatic compound - Ether - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic salt - Organic oxide - Organic nitrogen compound - 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: 311.920 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 311.857 Da
• Monoisotopic Mass: 309.859 Da
• Topological Polar Surface Area: 67.900 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 199.000
• 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 ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 79491-46-6, the molecular formula is C6H4Br2N2O3, and the molecular weight is 311.92 g/mol. InChIKey UHFLJHCYEBYJIT-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.