5,6-Dicloro-3-piridina metanol - ≥96% , CAS No.54127-30-9

CAS: 54127-30-9 Cat. No.: D135968 Peso molecular: 178.01 Número EC: 640-156-2

GRADE & PURITY ≥96%

Synonyms

EN300-1963469 | 2,3-dicloro-5-hidroxilmetilpiridina | J-501525 | 3-Piridinemetanol, 5,6-dicloro- | 5,6-Dicloro-3-piridinemetanol | BP-13212 | SCHEMBL113168 | DTXSID20619375 | 2,3-dicloro-5-hidroximetilpiridina | 5,6-dicloro-3-piridina metanol |

Storage

Almacenar a -20°C,cargado con argón

Shipped In

Hielera + almohadillas de hielo

Descripción general

la 5,6-dicloropiridina-3-metanol es un inhibidor de CXCR3 (receptor de quimioquinas CXC). También se utiliza en la síntesis de inhibidores de la histona desacetilasa basados en la piridina.
Un nuevo inhibidor de CXCR3 (receptor de quimioquinas CXC).

Specifications

Sinónimos

EN300-1963469 | 2, 3-dicloro-5-hidroxilmetilpiridina | J-501525 | 3-Piridinemetanol, 5, 6-dicloro- | 5, 6-Dicloro-3-piridinemetanol | BP-13212 | SCHEMBL113168 | DTXSID20619375 | 2, 3-dicloro-5-hidroximetilpiridina | 5, 6-dicloro-3-piridina metanol |

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Almacenar a -20°C, cargado con argón

Enviado en

Hielera + almohadillas de hielo

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 504769067
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769067
• Sonrisas canónicas: C1=C(C=NC(=C1Cl)Cl)CO
• IUPAC Name: (5,6-dichloropyridin-3-yl)methanol
• InChIKey: ZOFUUOULXZPZHP-UHFFFAOYSA-N
• INCHI: 1S/C6H5Cl2NO/c7-5-1-4(3-10)2-9-6(5)8/h1-2,10H,3H2
• Isómeros SMILES: C1=C(C=NC(=C1Cl)Cl)CO
• Peso molecular: 178.01
• Reaxy-Rn: 121010
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=121010&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Polyhalopyridines
• Alternative Parents: 2-halopyridines Aryl chlorides Heteroaromatic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Organochlorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - 2-halopyridine - Aryl chloride - Aryl halide - Heteroaromatic compound - Azacycle - Alcohol - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Air sensitive
• Punto de fusión (°C): 76 °C
• Peso molecular: 178.010 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 176.975 Da
• Monoisotopic Mass: 176.975 Da
• Topological Polar Surface Area: 33.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 112.000
• 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