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

CAS: 1214352-99-4 Cat. No.: C190137 Summenformel: C₁₂H₈ClNO₂ Molekulargewicht: 233.65 PubChem CID: 46314706

QUALITÄT & REINHEIT ≥95%

Synonyms

2-Pyridinecarboxylic acid, 6-chloro-5-phenyl-|6-chloro-5-phenylpyridine-2-carboxylic acid|2-Chloro-3-phenyl-6-pyridinecarboxylic acid|6-Chloro-5-phenylpicolinic acid

Storage

Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

2-Pyridinecarboxylic acid, 6-chloro-5-phenyl- | 6-chloro-5-phenylpyridine-2-carboxylic acid | 2-Chloro-3-phenyl-6-pyridinecarboxylic acid | 6-Chloro-5-phenylpicolinic acid

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

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)

Isomere SMILES

C1=CC=C(C=C1)C2=C(N=C(C=C2)C(=O)O)Cl

PubChem CID

46314706

Molekulargewicht

233.65

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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

Häufig gestellte Fragen

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.