(4-Chloro-5-fluoropyridin-2-yl)methanol - ≥97% , CAS No.113209-90-8

CAS: 113209-90-8 Cat. No.: C189753 Peso molecular: 161.56 Número EC: 640-872-5

GRADE & PURITY ≥97%

Synonyms

SY102671 | DTXSID60599960 | 2-Pyridinemethanol, 4-chloro-5-fluoro- | 4-Chloro-5-fluoropyridine-2-methanol | AKOS006313821 | (4-Chloro-5-fluoro-2-pyridinyl)methanol | P10865 | (4-chloro-5-fluoropyridin-2-yl)methanol | DS-11145 | 2-Pyridinemethanol,4-chloro

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

SY102671 | DTXSID60599960 | 2-Pyridinemethanol, 4-chloro-5-fluoro- | 4-Chloro-5-fluoropyridine-2-methanol | AKOS006313821 | (4-Chloro-5-fluoro-2-pyridinyl)methanol | P10865 | (4-chloro-5-fluoropyridin-2-yl)methanol | DS-11145 | 2-Pyridinemethanol, 4-chloro

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=C(N=CC(=C1Cl)F)CO
• IUPAC Name: (4-chloro-5-fluoropyridin-2-yl)methanol
• InChIKey: VYGKQYHESCOCGJ-UHFFFAOYSA-N
• INCHI: 1S/C6H5ClFNO/c7-5-1-4(3-10)9-2-6(5)8/h1-2,10H,3H2
• Isómeros SMILES: C1=C(N=CC(=C1Cl)F)CO
• Peso molecular: 161.56
• Reaxy-Rn: 6500256
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6500256&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: Aryl fluorides Aryl chlorides Heteroaromatic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - Aryl chloride - Aryl fluoride - Aryl halide - Heteroaromatic compound - Azacycle - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Alcohol - 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

• Peso molecular: 161.560 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 161.004 Da
• Monoisotopic Mass: 161.004 Da
• Topological Polar Surface Area: 33.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 114.000
• 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