ácido 3-bromo-6-cloropiridina-2-carboxílico - ≥97% , CAS No.929000-66-8

CAS: 929000-66-8 Cat. No.: B178265 Peso molecular: 236.45 Número EC: 640-539-4

GRADE & PURITY ≥97%

Synonyms

2-Pyridinecarboxylicacid, 3-bromo-6-chloro- | PS-4894 | J-512067 | 3-Bromo-6-chloro-2-pyridine carboxylic acid | SCHEMBL724218 | 3-Bromo-6-chloro-pyridine-2-carboxylic acid | 3-Bromo-6-chloropyridine-2-carboxylic acid | MFCD09258777 | 3-Bromo-6-chloropyri

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Specifications

Sinónimos

2-Pyridinecarboxylicacid, 3-bromo-6-chloro- | PS-4894 | J-512067 | 3-Bromo-6-chloro-2-pyridine carboxylic acid | SCHEMBL724218 | 3-Bromo-6-chloro-pyridine-2-carboxylic acid | 3-Bromo-6-chloropyridine-2-carboxylic acid | MFCD09258777 | 3-Bromo-6-chloropyri

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504770069
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770069
• Sonrisas canónicas: C1=CC(=NC(=C1Br)C(=O)O)Cl
• IUPAC Name: 3-bromo-6-chloropyridine-2-carboxylic acid
• InChIKey: RDZPMWLHALUNCD-UHFFFAOYSA-N
• INCHI: 1S/C6H3BrClNO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)
• Isómeros SMILES: C1=CC(=NC(=C1Br)C(=O)O)Cl
• Peso molecular: 236.45
• Reaxy-Rn: 20645591
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20645591&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 2-halopyridines Aryl chlorides Aryl bromides Vinylogous halides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Polyhalopyridine - 2-halopyridine - Aryl bromide - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Organic nitrogen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen 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: 236.450 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 234.904 Da
• Monoisotopic Mass: 234.904 Da
• Topological Polar Surface Area: 50.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 167.000
• 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