4-Chloro-2-hydroxy-5-nitropyridine - ≥97% , CAS No.850663-54-6

CAS: 850663-54-6 Cat. No.: C187082 Formule: C₅H₃ClN₂O₃ Poids moléculaire: 174.5 Numéro CE: 811-556-6

GRADE & PURITY ≥97%

Synonyms

J-515068 | 4-chloro-5-nitro-1H-pyridin-2-one | 4-Chloro-5-nitro-pyridin-2-ol | 4-chloro-5-nitropyridin-2-ol | PS-5608 | A841185 | 2(1H)-Pyridinone, 4-chloro-5-nitro- | DTXSID00654901 | BL000705 | SY007150 | AKOS015917080 | 4-Chloro-5-nitro-2-hydroxypyridi

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

J-515068 | 4-chloro-5-nitro-1H-pyridin-2-one | 4-Chloro-5-nitro-pyridin-2-ol | 4-chloro-5-nitropyridin-2-ol | PS-5608 | A841185 | 2(1H)-Pyridinone, 4-chloro-5-nitro- | DTXSID00654901 | BL000705 | SY007150 | AKOS015917080 | 4-Chloro-5-nitro-2-hydroxypyridi

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

• Pubchem Sid: 488200899
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200899
• Sourires canoniques: C1=C(C(=CNC1=O)[N+](=O)[O-])Cl
• IUPAC Name: 4-chloro-5-nitro-1H-pyridin-2-one
• InChIKey: VZBXTOUZMQUTIQ-UHFFFAOYSA-N
• INCHI: 1S/C5H3ClN2O3/c6-3-1-5(9)7-2-4(3)8(10)11/h1-2H,(H,7,9)
• Isomères SMILES: C1=C(C(=CNC1=O)[N+](=O)[O-])Cl
• Poids moléculaire: 174.5
• Reaxy-Rn: 15562098
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15562098&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Classe Allyl-type 1,3-dipolar organic compounds
      • Subclass Organic nitro compounds
        • Level5 C-nitro compounds
          • Level6 Nitroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Classe: Allyl-type 1,3-dipolar organic compounds
• Subclass: Organic nitro compounds
• Intermediate Tree Nodes: C-nitro compounds
• Direct Parent: Nitroaromatic compounds
• Alternative Parents: Pyridinones Dihydropyridines Aryl chlorides Vinylogous halides Heteroaromatic compounds Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Organic salts Hydrocarbon derivatives Organic zwitterions Organochlorides Organonitrogen compounds Organooxygen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitroaromatic compound - Dihydropyridine - Pyridinone - Aryl chloride - Aryl halide - Hydropyridine - Pyridine - Heteroaromatic compound - Vinylogous halide - Lactam - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic salt - Organic zwitterion - Organic oxide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 174.540 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 173.983 Da
• Monoisotopic Mass: 173.983 Da
• Topological Polar Surface Area: 74.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 276.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 850663-54-6, the molecular formula is C5H3ClN2O3, and the molecular weight is 174.5 g/mol. InChIKey VZBXTOUZMQUTIQ-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.