6-Chloro-5-phenylpicolinic acid - ≥95% , CAS No.1214352-99-4

CAS: 1214352-99-4 Cat. No.: C190137 Formule: C₁₂H₈ClNO₂ Poids moléculaire: 233.65 PubChem CID: 46314706

GRADE & PURITY ≥95%

Synonyms

2-Pyridinecarboxylic acid, 6-chloro-5-phenyl- | DTXSID10673486 | C71787 | AKOS022172493 | 6-chloro-5-phenylpyridine-2-carboxylic acid | 1214352-99-4 | A891730 | MFCD14701688 | 2-Chloro-3-phenyl-6-pyridinecarboxylic acid | DS-3003 | 6-Chloro-5-phenylpicoli

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

2-Pyridinecarboxylic acid, 6-chloro-5-phenyl- | DTXSID10673486 | C71787 | AKOS022172493 | 6-chloro-5-phenylpyridine-2-carboxylic acid | 1214352-99-4 | A891730 | MFCD14701688 | 2-Chloro-3-phenyl-6-pyridinecarboxylic acid | DS-3003 | 6-Chloro-5-phenylpicoli

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

• Sourires canoniques: C1=CC=C(C=C1)C2=C(N=C(C=C2)C(=O)O)Cl
• IUPAC Name: 6-chloro-5-phenylpyridine-2-carboxylic acid
• InChIKey: ZQVTXPUVKSEURY-UHFFFAOYSA-N
• INCHI: 1S/C12H8ClNO2/c13-11-9(8-4-2-1-3-5-8)6-7-10(14-11)12(15)16/h1-7H,(H,15,16)
• Isomères SMILES: C1=CC=C(C=C1)C2=C(N=C(C=C2)C(=O)O)Cl
• PubChem CID: 46314706
• Poids moléculaire: 233.65

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Pyridinecarboxylic acids 2-halopyridines Benzene and substituted derivatives Aryl chlorides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-phenylpyridine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - 2-halopyridine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 233.650 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 233.024 Da
• Monoisotopic Mass: 233.024 Da
• Topological Polar Surface Area: 50.200 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 253.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥95% 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 1214352-99-4, the molecular formula is C12H8ClNO2, and the molecular weight is 233.65 g/mol. InChIKey ZQVTXPUVKSEURY-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.