Pentachloropyridine - ≥98% , CAS No.2176-62-7

CAS: 2176-62-7 Cat. No.: P111453 Fórmula: C₅Cl₅N Peso molecular: 251.33 Beilstein Registry Number: 155197 Número CE: 218-535-5

GRADE & PURITY ≥98%

Synonyms

BRN 0155197 | C5CL5N_100K | A815655 | NSC 26286 | NCGC00254444-01 | SCHEMBL468366 | 2,3,4,5,6-Pentchloropyridine | P1661 | Pyridine, pentachloro- | C5CL5N_200K | D77706 | Pyridine,3,4,5,6-pentachloro- | 2,4,5,6-Pentachloropyridine | Pyridine, 2,3,4,5,6-pe

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

BRN 0155197 | C5CL5N_100K | A815655 | NSC 26286 | NCGC00254444-01 | SCHEMBL468366 | 2,3,4,5,6-Pentchloropyridine | P1661 | Pyridine, pentachloro- | C5CL5N_200K | D77706 | Pyridine,3,4,5,6-pentachloro- | 2,4,5,6-Pentachloropyridine | Pyridine, 2,3,4,5,6-pe

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 488182266
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182266
• Sorrisos canónicos: C1(=C(C(=NC(=C1Cl)Cl)Cl)Cl)Cl
• IUPAC Name: 2,3,4,5,6-pentachloropyridine
• InChIKey: DNDPLEAVNVOOQZ-UHFFFAOYSA-N
• INCHI: 1S/C5Cl5N/c6-1-2(7)4(9)11-5(10)3(1)8
• SMILES isoméricas: C1(=C(C(=NC(=C1Cl)Cl)Cl)Cl)Cl
• RTECS: UT7000000
• Peso molecular: 251.33
• Beilstein: 155197
• Reaxy-Rn: 155197
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=155197&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Polyhalopyridines
• Alternative Parents: 2-halopyridines Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - 2-halopyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as polyhalopyridines. These are organic compounds containing a pyridine ring substituted at two or more positions by a halogen atom.
• 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

Alvos associados (humanos)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Insoluble in water, soluble in hot ethanol, soluble in ethanol, ether.
• Ponto de ebulição (°C): 280°C
• Ponto de fusão (°C): 126°C
• Peso molecular: 251.300 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 250.844 Da
• Monoisotopic Mass: 248.847 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 129.000
• 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

Referências

1. Shishi Shao, Jiaqiang Zhao, Wei Wang, Hanbing Nie, Yan Jie Li, Xuepeng Zhang, Cheng Zhi Huang, Peng Fei Gao.  (2023)  Ratiometric room-temperature phosphorescence platform for visual and spectral analysis of naphthalene.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2023.135047]

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% 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 2176-62-7, the molecular formula is C5Cl5N, and the molecular weight is 251.33 g/mol. InChIKey DNDPLEAVNVOOQZ-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.