5-Bromo-2-hydroxy-3-nitro-6-picoline - ≥95% , CAS No.186413-74-1

CAS: 186413-74-1 Cat. No.: B182318 Summenformel: C₆H₅BrN₂O₃ Molekulargewicht: 233.02 EG-Nummer: 960-645-7

GRADE & PURITY ≥95%

Synonyms

P11282 | GS-5042 | 5-Bromo-2-hydroxy-3-nitro-6-picoline | MFCD09839284 | DTXSID00442800 | 5-bromo-6-methyl-3-nitro-1H-pyridin-2-one | AMY28761 | OEBQKJOFOWLDME-UHFFFAOYSA-N | SY019552 | 5-Bromo-6-methyl-3-nitropyridin-2-ol | AKOS016005581 | 5-bromo-6-meth

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

P11282 | GS-5042 | 5-Bromo-2-hydroxy-3-nitro-6-picoline | MFCD09839284 | DTXSID00442800 | 5-bromo-6-methyl-3-nitro-1H-pyridin-2-one | AMY28761 | OEBQKJOFOWLDME-UHFFFAOYSA-N | SY019552 | 5-Bromo-6-methyl-3-nitropyridin-2-ol | AKOS016005581 | 5-bromo-6-meth

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

488196755

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488196755

Kanonisches Lächeln

CC1=C(C=C(C(=O)N1)[N+](=O)[O-])Br

IUPAC Name

5-bromo-6-methyl-3-nitro-1H-pyridin-2-one

InChIKey

OEBQKJOFOWLDME-UHFFFAOYSA-N

INCHI

1S/C6H5BrN2O3/c1-3-4(7)2-5(9(11)12)6(10)8-3/h2H,1H3,(H,8,10)

Isomere SMILES

CC1=C(C=C(C(=O)N1)[N+](=O)[O-])Br

Molekulargewicht

233.02

Reaxy-Rn

7636312

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7636312&ln=

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: Pyridinones Dihydropyridines Methylpyridines Aryl bromides Heteroaromatic compounds Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Organic salts Organobromides Organonitrogen compounds Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitroaromatic compound - Dihydropyridine - Methylpyridine - Pyridinone - Aryl bromide - Aryl halide - Hydropyridine - Pyridine - Heteroaromatic compound - Lactam - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic salt - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen 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: 233.020 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 231.948 Da
• Monoisotopic Mass: 231.948 Da
• Topological Polar Surface Area: 74.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 313.000
• 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 ≥95% 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 186413-74-1, the molecular formula is C6H5BrN2O3, and the molecular weight is 233.02 g/mol. InChIKey OEBQKJOFOWLDME-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.