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

CAS: 17228-71-6 Cat. No.: D182060 Formula: C₅H₃Cl₂NO Peso molecolare: 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

Sinonimi

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

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

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Purezza

≥95%

Nomi e identificatori

Pubchem Sid

528757976

Pubchem Sid Url

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

Sorrisi canonici

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)

Isomeri SMILES

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

Peso molecolare

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
    • 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: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 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