4-Chloro-N-phenylpicolinamide - ≥97% , CAS No.133928-61-7

CAS: 133928-61-7 Cat. No.: C167012 Fórmula: C₁₂H₉ClN₂O Peso molecular: 232.67

GRADE & PURITY ≥97%

Synonyms

AS-45598 | AKOS001303760 | DTXSID90296950 | Z82191561 | Trithiocyanuric acidtrisodium salthydrate | 4-Chloro-N-phenyl-pyridine-2-carboxamide | 4-chloro-N-phenylpyridine-2-carboxamide | SCHEMBL6072225 | FT-0681659 | 4-Chloro-N-phenylpicolinamide | AR3401 |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AS-45598 | AKOS001303760 | DTXSID90296950 | Z82191561 | Trithiocyanuric acidtrisodium salthydrate | 4-Chloro-N-phenyl-pyridine-2-carboxamide | 4-chloro-N-phenylpyridine-2-carboxamide | SCHEMBL6072225 | FT-0681659 | 4-Chloro-N-phenylpicolinamide | AR3401 |

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504758242
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758242
• Sonrisas canónicas: C1=CC=C(C=C1)NC(=O)C2=NC=CC(=C2)Cl
• IUPAC Name: 4-chloro-N-phenylpyridine-2-carboxamide
• InChIKey: OXCAWSPZTRRBLP-UHFFFAOYSA-N
• INCHI: 1S/C12H9ClN2O/c13-9-6-7-14-11(8-9)12(16)15-10-4-2-1-3-5-10/h1-8H,(H,15,16)
• Isómeros SMILES: C1=CC=C(C=C1)NC(=O)C2=NC=CC(=C2)Cl
• WGK Alemania: 3
• Peso molecular: 232.67
• Reaxy-Rn: 4313050
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4313050&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic anilides
• Alternative Parents: Pyridinecarboxamides 2-heteroaryl carboxamides Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aromatic anilide - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Aryl chloride - Aryl halide - Pyridine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl 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: 232.660 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 232.04 Da
• Monoisotopic Mass: 232.04 Da
• Topological Polar Surface Area: 42.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 241.000
• 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 ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 133928-61-7, the molecular formula is C12H9ClN2O, and the molecular weight is 232.67 g/mol. InChIKey OXCAWSPZTRRBLP-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.