2,5-dibromo-4-nitropyridine - ≥97% , CAS No.221241-31-2

CAS: 221241-31-2 Cat. No.: D632131 Summenformel: C₅H₂Br₂N₂O₂ Molekulargewicht: 281.89 EG-Nummer: 881-760-8 PubChem CID: 71464178

GRADE & PURITY ≥97%

Synonyms

QQNCRXJHMWJGQK-UHFFFAOYSA-N | SB13941 | DTXSID80855954 | MFCD16876007 | AS-40340 | SY259492 | FT-0740687 | 2,5-Dibromo-4-nitropyridine | AKOS016013152 | A878699 | SCHEMBL3996551

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

QQNCRXJHMWJGQK-UHFFFAOYSA-N | SB13941 | DTXSID80855954 | MFCD16876007 | AS-40340 | SY259492 | FT-0740687 | 2,5-Dibromo-4-nitropyridine | AKOS016013152 | A878699 | SCHEMBL3996551

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: C1=C(C(=CN=C1Br)Br)[N+](=O)[O-]
• IUPAC Name: 2,5-dibromo-4-nitropyridine
• InChIKey: QQNCRXJHMWJGQK-UHFFFAOYSA-N
• INCHI: 1S/C5H2Br2N2O2/c6-3-2-8-5(7)1-4(3)9(10)11/h1-2H
• Isomere SMILES: C1=C(C(=CN=C1Br)Br)[N+](=O)[O-]
• Alternative CAS-Nummer: 221241-31-2
• PubChem CID: 71464178
• Molekulargewicht: 281.89

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Klasse Allyl-type 1,3-dipolar organic compounds
      • Subclass Organic nitro compounds
        • Ebene5 C-nitro compounds
          • Ebene6 Nitroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Klasse: Allyl-type 1,3-dipolar organic compounds
• Subclass: Organic nitro compounds
• Intermediate Tree Nodes: C-nitro compounds
• Direct Parent: Nitroaromatic compounds
• Alternative Parents: Polyhalopyridines 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 - 2-halopyridine - Aryl bromide - Aryl halide - Pyridine - Heteroaromatic compound - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organic oxide - Organohalogen compound - Organic cation - Aromatic heteromonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 281.890 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 281.846 Da
• Monoisotopic Mass: 279.848 Da
• Topological Polar Surface Area: 58.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 161.000
• 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

Häufig gestellte Fragen

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 221241-31-2, the molecular formula is C5H2Br2N2O2, and the molecular weight is 281.89 g/mol. InChIKey QQNCRXJHMWJGQK-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.