4-Chloro-2,3-dimethylpyridine N-Oxide - ≥98% , CAS No.59886-90-7

CAS: 59886-90-7 Cat. No.: C134499 Peso molecular: 157.6 Número EC: 611-910-8

GRADE & PURITY ≥98%

Synonyms

NSC275262 | NSC-275262 | C2820 | 4-chloro-2,3-dimethylpyridin-1-ium-1-olate | A8397 | SCHEMBL1080050 | SCHEMBL712432 | J-514920 | 2,3-DIMETHYL 4-CHLORO PYRIDINE N-OXIDE | 4-chlor-2,3-dimethylpyridine-N-oxide | AMY14652 | AMY21532 | 4-Chloro-2,3-dimethyl-1

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

NSC275262 | NSC-275262 | C2820 | 4-chloro-2, 3-dimethylpyridin-1-ium-1-olate | A8397 | SCHEMBL1080050 | SCHEMBL712432 | J-514920 | 2, 3-DIMETHYL 4-CHLORO PYRIDINE N-OXIDE | 4-chlor-2, 3-dimethylpyridine-N-oxide | AMY14652 | AMY21532 | 4-Chloro-2, 3-dimethyl-1

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

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

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1=C(C=C[N+](=C1C)[O-])Cl
• IUPAC Name: 4-chloro-2,3-dimethyl-1-oxidopyridin-1-ium
• InChIKey: MCUYHRNUDDANSO-UHFFFAOYSA-N
• INCHI: 1S/C7H8ClNO/c1-5-6(2)9(10)4-3-7(5)8/h3-4H,1-2H3
• Isómeros SMILES: CC1=C(C=C[N+](=C1C)[O-])Cl
• Peso molecular: 157.6
• Reaxy-Rn: 1636247
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1636247&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Methylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Methylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Methylpyridines
• Alternative Parents: 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: Methylpyridine - Aryl chloride - Aryl halide - Pyridinium - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen compound - Organic cation - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as methylpyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a methyl 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
• Sensibilidad: Heat & Moisture &Air sensitive
• Punto de fusión (°C): 106-110℃
• Peso molecular: 157.600 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 157.029 Da
• Monoisotopic Mass: 157.029 Da
• Topological Polar Surface Area: 25.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 120.000
• 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