3,5-Dibromopicolinic acid - ≥98% , CAS No.61830-40-8

CAS: 61830-40-8 Cat. No.: D589670 Fórmula: C₆H₃NO₂Br₂ Peso molecular: 280.90 Número EC: 838-560-0

GRADE & PURITY ≥98%

Synonyms

MFCD06411110 | AB25162 | DTXSID30494110 | W16708 | 3,5-DibroMopicolinicacid | 2-Pyridinecarboxylic acid, 3,5-dibromo- | BXFONYCBYSYAJE-UHFFFAOYSA-N | 3,5-Dibromopicolinic acid | A833438 | FT-0647216 | 3,5-dibromo-2-pyridinecarboxylic acid | 3,5-Dibromopyr

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

MFCD06411110 | AB25162 | DTXSID30494110 | W16708 | 3,5-DibroMopicolinicacid | 2-Pyridinecarboxylic acid, 3,5-dibromo- | BXFONYCBYSYAJE-UHFFFAOYSA-N | 3,5-Dibromopicolinic acid | A833438 | FT-0647216 | 3,5-dibromo-2-pyridinecarboxylic acid | 3,5-Dibromopyr

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=C(C=NC(=C1Br)C(=O)O)Br
• IUPAC Name: 3,5-dibromopyridine-2-carboxylic acid
• InChIKey: BXFONYCBYSYAJE-UHFFFAOYSA-N
• INCHI: 1S/C6H3Br2NO2/c7-3-1-4(8)5(6(10)11)9-2-3/h1-2H,(H,10,11)
• Isómeros SMILES: C1=C(C=NC(=C1Br)C(=O)O)Br
• Peso molecular: 280.90
• Reaxy-Rn: 136084
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=136084&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Polyhalopyridines Aryl bromides Vinylogous halides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Polyhalopyridine - Aryl bromide - Aryl halide - Vinylogous halide - Heteroaromatic compound - Carboxylic acid - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 280.900 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 280.851 Da
• Monoisotopic Mass: 278.853 Da
• Topological Polar Surface Area: 50.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 165.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C 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 61830-40-8, the molecular formula is C6H3NO2Br2, and the molecular weight is 280.90 g/mol. InChIKey BXFONYCBYSYAJE-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.