2-Bromopyridine N-oxide hydrobromide - ≥97% , CAS No.206860-49-3

CAS: 206860-49-3 Cat. No.: B168457 Formula: C₅H₄BrNO.HBr Peso molecolare: 254.91 Numero EC: 685-902-8

GRADE & PURITY ≥97%

Synonyms

2-Bromopyridine1-oxidehydrobromide | A4490 | 2-Bromopyridine 1-oxide hydrobromide (1:1) | AS-37129 | AKOS015919699 | 2-Bromopyridine-N-Oxide HBr | C5H5Br2NO | FT-0630064 | 2-Bromo-pyridine 1-oxide hydrobromide | 2-Bromopyridine 1-oxide hydrobromide | 2-Br

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

2-Bromopyridine1-oxidehydrobromide | A4490 | 2-Bromopyridine 1-oxide hydrobromide (1:1) | AS-37129 | AKOS015919699 | 2-Bromopyridine-N-Oxide HBr | C5H5Br2NO | FT-0630064 | 2-Bromo-pyridine 1-oxide hydrobromide | 2-Bromopyridine 1-oxide hydrobromide | 2-Br

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Sorrisi canonici

C1=CC=[N+](C(=C1)Br)[O-].Br

IUPAC Name

2-bromo-1-oxidopyridin-1-ium;hydrobromide

InChIKey

DKUDDLJCRIFJLN-UHFFFAOYSA-N

INCHI

1S/C5H4BrNO.BrH/c6-5-3-1-2-4-7(5)8;/h1-4H;1H

Isomeri SMILES

C1=CC=[N+](C(=C1)Br)[O-].Br

WGK Germania

3

Peso molecolare

254.91

Reaxy-Rn

9272083

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9272083&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Halopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-halopyridines
• Alternative Parents: Pyridinium derivatives Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Hydrobromides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halopyridine - Aryl bromide - Aryl halide - Pyridinium - Heteroaromatic compound - Azacycle - Organic oxide - Hydrobromide - Organopnictogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 2-halopyridines. These are organic compounds containing a pyridine ring substituted at the 2-position by a halogen atom.
• 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

• Sensibilità: Moisture sensitive
• Peso molecolare: 254.910 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 254.872 Da
• Monoisotopic Mass: 252.874 Da
• Topological Polar Surface Area: 25.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 78.800
• 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: 2

XLogP3

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 206860-49-3, the molecular formula is C5H5Br2NO, and the molecular weight is 254.91 g/mol. InChIKey DKUDDLJCRIFJLN-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.