2-Bromo-4-hydroxynicotinic acid - ≥95% , CAS No.1150561-81-1

CAS: 1150561-81-1 Cat. No.: B179694 Summenformel: C₆H₄BrNO₃ Molekulargewicht: 218.00

QUALITÄT & REINHEIT ≥95%

Synonyms

2-Bromo-4-hydroxynicotinic acid | BS-19440 | DTXSID40657234 | 2-Bromo-4-hydroxynicotinicacid | D94451 | 1150561-81-1 | A893950 | 2-Bromo-4-hydroxypyridine-3-carboxylic acid | 2-bromo-4-oxo-1H-pyridine-3-carboxylic acid | AWB56181 | MFCD12026106 | 2-Bromo-

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Spezifikationen

Synonyme

2-Bromo-4-hydroxynicotinic acid | BS-19440 | DTXSID40657234 | 2-Bromo-4-hydroxynicotinicacid | D94451 | 1150561-81-1 | A893950 | 2-Bromo-4-hydroxypyridine-3-carboxylic acid | 2-bromo-4-oxo-1H-pyridine-3-carboxylic acid | AWB56181 | MFCD12026106 | 2-Bromo-

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C,Protected from light,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Product Line

B179694-50mg

Namen und Kennungen

Kanonisches Lächeln

C1=CNC(=C(C1=O)C(=O)O)Br

IUPAC Name

2-bromo-4-oxo-1H-pyridine-3-carboxylic acid

InChIKey

KOXXROVSDNRBCY-UHFFFAOYSA-N

INCHI

1S/C6H4BrNO3/c7-5-4(6(10)11)3(9)1-2-8-5/h1-2H,(H,8,9)(H,10,11)

Isomere SMILES

C1=CNC(=C(C1=O)C(=O)O)Br

Molekulargewicht

218.00

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Dihydropyridinecarboxylic acids and derivatives 2-halopyridines Aryl bromides Vinylogous halides Vinylogous amides Heteroaromatic compounds Cyclic ketones Carboxylic acids Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dihydropyridinecarboxylic acid derivative - Pyridine carboxylic acid - 2-halopyridine - Dihydropyridine - Aryl bromide - Aryl halide - Hydropyridine - Heteroaromatic compound - Vinylogous amide - Vinylogous halide - Cyclic ketone - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid 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

• Empfindlichkeit: Light sensitive
• Molekulargewicht: 218.000 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 216.937 Da
• Monoisotopic Mass: 216.937 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 280.000
• 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 2–8 °C, protected from light, 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 1150561-81-1, the molecular formula is C6H4BrNO3, and the molecular weight is 218.00 g/mol. InChIKey KOXXROVSDNRBCY-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.