4-Chloro-3-methoxy-2-methylpyridine N-oxide - ≥98%(GC) , CAS No.122307-41-9

CAS: 122307-41-9 Cat. No.: C138112 Peso molecular: 173.6 Número EC: 602-491-2

GRADE & PURITY ≥98%(GC)

Synonyms

AS-10872 | 2-methyl-3-methoxy-4-chloropyridine N-oxide | MFCD03093995 | AC-8440 | FT-0642982 | 4-Chloro-2-methyl-3-methoxypyridine N-oxide; 4-Chloro-3-methoxy-2-methylpyridine N-oxide | 4-Chloro-2-methyl-3-methoxypyridine N-Oxide | SY018469 | 4-Chloro-3-m

Storage

Desiccated,Room temperature

Shipped In

Normal

Specifications

Sinónimos

AS-10872 | 2-methyl-3-methoxy-4-chloropyridine N-oxide | MFCD03093995 | AC-8440 | FT-0642982 | 4-Chloro-2-methyl-3-methoxypyridine N-oxide; 4-Chloro-3-methoxy-2-methylpyridine N-oxide | 4-Chloro-2-methyl-3-methoxypyridine N-Oxide | SY018469 | 4-Chloro-3-m

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Desiccated, Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Sonrisas canónicas: CC1=[N+](C=CC(=C1OC)Cl)[O-]
• IUPAC Name: 4-chloro-3-methoxy-2-methyl-1-oxidopyridin-1-ium
• InChIKey: TWXMQDRFBLSXFN-UHFFFAOYSA-N
• INCHI: 1S/C7H8ClNO2/c1-5-7(11-2)6(8)3-4-9(5)10/h3-4H,1-2H3
• Isómeros SMILES: CC1=[N+](C=CC(=C1OC)Cl)[O-]
• WGK Alemania: 3
• Peso molecular: 173.6
• Reaxy-Rn: 4861203
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4861203&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkyl aryl ethers
• Alternative Parents: Methylpyridines Pyridinium derivatives Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl aryl ether - Methylpyridine - Aryl chloride - Aryl halide - Pyridine - Pyridinium - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxide - Organic salt - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic cation - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl 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

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol and Water
• Sensibilidad: Hygroscopic
• Peso molecular: 173.600 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 173.024 Da
• Monoisotopic Mass: 173.024 Da
• Topological Polar Surface Area: 34.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 134.000
• 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