2-Methylpyridine N-Oxide - ≥99%(GC) , CAS No.931-19-1

CAS: 931-19-1 Cat. No.: M158853 Molecular Weight: 109.13 Beilstein Registry Number: 106916 EC Number: 213-230-3

GRADE & PURITY ≥99%(GC)

Synonyms

2-Methylpyridine N-oxide | CFZKDDTWZYUZKS-UHFFFAOYSA-N | CHEBI:35578 | Pyridine, methyl-, 1-oxide | 2-Methylpyridine N-oxide, >=96% | 2-picoline-1-oxide | Q27116520 | F0001-2244 | W-100254 | 2-methyl-pyridine-N-oxide | 2-methylpyridine-N-oxide | AI3-24502

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

2-Methylpyridine N-oxide | CFZKDDTWZYUZKS-UHFFFAOYSA-N | CHEBI:35578 | Pyridine, methyl-, 1-oxide | 2-Methylpyridine N-oxide, >=96% | 2-picoline-1-oxide | Q27116520 | F0001-2244 | W-100254 | 2-methyl-pyridine-N-oxide | 2-methylpyridine-N-oxide | AI3-24502

Specifications & Purity

≥99%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥99%(GC)

Names and Identifiers

• Canonical Smiles: CC1=CC=CC=[N+]1[O-]
• IUPAC Name: 2-methyl-1-oxidopyridin-1-ium
• InChIKey: CFZKDDTWZYUZKS-UHFFFAOYSA-N
• INCHI: 1S/C6H7NO/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
• Isomeric SMILES: CC1=CC=CC=[N+]1[O-]
• WGK Germany: 3
• Molecular Weight: 109.13
• Beilstein: 106916
• Reaxy-Rn: 106916
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=106916&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Methylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Methylpyridines
• Alternative Parents: Pyridinium derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methylpyridine - Pyridinium - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: 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: a small molecule

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

Chemical and Physical Properties

• Solubility: Soluble in water.
• Sensitivity: Moisture sensitive
• Flash Point(°F): 289.4 °F
• Flash Point(°C): 143 °C
• Boil Point(°C): 261 °C
• Melt Point(°C): 48 °C
• Molecular Weight: 109.130 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 109.053 Da
• Monoisotopic Mass: 109.053 Da
• Topological Polar Surface Area: 25.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 74.900
• 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