1-Methylpyridinium Chloride - ≥98% , CAS No.7680-73-1

CAS: 7680-73-1 Cat. No.: M102695 Peso molecular: 129.59 Beilstein Registry Number: 20(3/4)2307 Número EC: 231-658-9

GRADE & PURITY ≥98%

Synonyms

LRK3W477YB | EC 231-658-9 | 1-methylpyridin-1-ium chloride | Methyl pyridinium chloride | DTXSID50932185 | SB52923 | MFCD00137532 | Z57947843 | Pyridinium, 1-methyl-, chloride | 1-methylpyridin-1-ium;chloride | Pyridine methochloride | UNII-LRK3W477YB | D

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

LRK3W477YB | EC 231-658-9 | 1-methylpyridin-1-ium chloride | Methyl pyridinium chloride | DTXSID50932185 | SB52923 | MFCD00137532 | Z57947843 | Pyridinium, 1-methyl-, chloride | 1-methylpyridin-1-ium;chloride | Pyridine methochloride | UNII-LRK3W477YB | D

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C[N+]1=CC=CC=C1.[Cl-]
• IUPAC Name: 1-methylpyridin-1-ium;chloride
• InChIKey: QAIGYXWRIHZZAA-UHFFFAOYSA-M
• INCHI: 1S/C6H8N.ClH/c1-7-5-3-2-4-6-7;/h2-6H,1H3;1H/q+1;/p-1
• Isómeros SMILES: C[N+]1=CC=CC=C1.[Cl-]
• RTECS: UU5950000
• Número ONU: 2811
• Peso molecular: 129.59
• Beilstein: 20(3/4)2307
• Reaxy-Rn: 4158975
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4158975&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: N-methylpyridinium compounds
• Alternative Parents: Pyridinium derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-methylpyridinium - Pyridinium - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-methylpyridinium compounds. These are methylpyridines that carry a methyl group at the 1-position.
• 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

• Sensibilidad: Moisture sensitive.
• Punto de fusión (°C): 144°C
• Peso molecular: 129.590 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 129.035 Da
• Monoisotopic Mass: 129.035 Da
• Topological Polar Surface Area: 3.900 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 46.100
• 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: 2

XLogP3

Referencias

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