2-Chloroisonicotinic Acid - ≥97% , CAS No.6313-54-8

CAS: 6313-54-8 Cat. No.: C101720 Fórmula: C₆H₄ClNO₂ Peso molecular: 157.55 Número EC: 613-143-4

GRADE & PURITY ≥97%

Synonyms

2-chloro-pyridine-4-carboxylic acid | 2-Chloropyridine-4-carboxylic acid | DTXSID60284985 | EU-0000737 | 2-Chloroisonicotinicacid | NSC 40139 | 2-Propanone, 1-(alpha,alpha,alpha-trifluoro-m-tolyl)- | J-400296 | SB10308 | STR06289 | F0001-1716 | Z135302154

Storage

Room temperature

Shipped In

Normal

Descripción general

2-Chloropyridine-4-carboxylic acid may be used to synthesize 11-oxo-11 H-pyrido[2,1-b]quinazoline-7-carboxylic acid1 and 3-oxospiro[(aza)isobenzofuran-1(3H),1′-cyclohexane]-4′-carboxamide derivatives.
Used in monocomposite films

Specifications

Sinónimos

2-chloro-pyridine-4-carboxylic acid | 2-Chloropyridine-4-carboxylic acid | DTXSID60284985 | EU-0000737 | 2-Chloroisonicotinicacid | NSC 40139 | 2-Propanone, 1-(alpha,alpha,alpha-trifluoro-m-tolyl)- | J-400296 | SB10308 | STR06289 | F0001-1716 | Z135302154

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488188894
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188894
• Sonrisas canónicas: C1=CN=C(C=C1C(=O)O)Cl
• IUPAC Name: 2-chloropyridine-4-carboxylic acid
• InChIKey: QXCOHSRHFCHCHN-UHFFFAOYSA-N
• INCHI: 1S/C6H4ClNO2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H,9,10)
• Isómeros SMILES: C1=CN=C(C=C1C(=O)O)Cl
• WGK Alemania: 3
• Peso molecular: 157.55
• Reaxy-Rn: 115861
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=115861&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: 2-halopyridines Aryl chlorides Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - 2-halopyridine - Aryl chloride - Aryl halide - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - 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

Objetivos asociados (no humanos)

Plasmodium falciparum (966862 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 246°C
• Peso molecular: 157.550 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 156.993 Da
• Monoisotopic Mass: 156.993 Da
• Topological Polar Surface Area: 50.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 140.000
• 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

How should this product be stored?

Store at room temperature.

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 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 6313-54-8, the molecular formula is C6H4ClNO2, and the molecular weight is 157.55 g/mol. InChIKey QXCOHSRHFCHCHN-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.