3-Chloro-5-fluoroisonicotinic acid - ≥98% , CAS No.514798-03-9

CAS: 514798-03-9 Cat. No.: C589323 Peso molecular: 175.54 Número EC: 849-885-2

GRADE & PURITY ≥98%

Synonyms

MFCD13185823 | SY322756 | DTXSID40450020 | AB66801 | AKOS016008265 | SCHEMBL16135687 | 3-chloro-5-fluoropyridine-4-carboxylic acid | EN300-122812 | AS-10492 | 3-Chloro-5-fluoroisonicotinic acid | A905272 | 3-CHLORO-5-FLUORO-4-PYRIDINECARBOXYLIC ACID

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

MFCD13185823 | SY322756 | DTXSID40450020 | AB66801 | AKOS016008265 | SCHEMBL16135687 | 3-chloro-5-fluoropyridine-4-carboxylic acid | EN300-122812 | AS-10492 | 3-Chloro-5-fluoroisonicotinic acid | A905272 | 3-CHLORO-5-FLUORO-4-PYRIDINECARBOXYLIC ACID

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

• Pubchem Sid: 504765801
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765801
• Sonrisas canónicas: C1=C(C(=C(C=N1)Cl)C(=O)O)F
• IUPAC Name: 3-chloro-5-fluoropyridine-4-carboxylic acid
• InChIKey: APKYTXKVPCYUOG-UHFFFAOYSA-N
• INCHI: 1S/C6H3ClFNO2/c7-3-1-9-2-4(8)5(3)6(10)11/h1-2H,(H,10,11)
• Isómeros SMILES: C1=C(C(=C(C=N1)Cl)C(=O)O)F
• CAS alternativo: 514798-03-9
• Peso molecular: 175.54
• Reaxy-Rn: 9322978
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9322978&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 1-carboxy-2-haloaromatic compounds Aryl fluorides Aryl chlorides Vinylogous halides Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - 1-carboxy-2-haloaromatic compound - Polyhalopyridine - Aryl chloride - Aryl fluoride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organonitrogen compound - Organofluoride - Organochloride - 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: 175.540 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 174.984 Da
• Monoisotopic Mass: 174.984 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