3,5-Dichloro-4-hydroxypyridine - ≥95% , CAS No.17228-71-6

CAS: 17228-71-6 Cat. No.: D182060 Summenformel: C₅H₃Cl₂NO Molekulargewicht: 163.99

GRADE & PURITY ≥95%

Synonyms

3,5-Dichloro-4-hydroxypyridine | EINECS 241-268-0 | MFCD00051673 | PS-5913 | 4-PYRIDINOL, 3,5-DICHLORO- | FT-0614546 | 1H-Benzimidazole-2-carboxylic acid methyl ester | AB02053 | EN300-235699 | FT-0614545 | AKOS002666023 | A3796 | MFCD00085095 | OXAZOLE,2

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

3,5-Dichloro-4-hydroxypyridine | EINECS 241-268-0 | MFCD00051673 | PS-5913 | 4-PYRIDINOL, 3,5-DICHLORO- | FT-0614546 | 1H-Benzimidazole-2-carboxylic acid methyl ester | AB02053 | EN300-235699 | FT-0614545 | AKOS002666023 | A3796 | MFCD00085095 | OXAZOLE,2

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

528757976

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528757976

Kanonisches Lächeln

C1=C(C(=O)C(=CN1)Cl)Cl

IUPAC Name

3,5-dichloro-1H-pyridin-4-one

InChIKey

YKCQWIYRLMNGMO-UHFFFAOYSA-N

INCHI

1S/C5H3Cl2NO/c6-3-1-8-2-4(7)5(3)9/h1-2H,(H,8,9)

Isomere SMILES

C1=C(C(=O)C(=CN1)Cl)Cl

Molekulargewicht

163.99

Reaxy-Rn

1524978

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1524978&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Polyhalopyridines
• Alternative Parents: Dihydropyridines Aryl chlorides Vinylogous amides Heteroaromatic compounds Cyclic ketones Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - Dihydropyridine - Aryl chloride - Aryl halide - Hydropyridine - Vinylogous amide - Heteroaromatic compound - Cyclic ketone - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 163.990 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 162.959 Da
• Monoisotopic Mass: 162.959 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 187.000
• 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