Pyridine N-oxide - ≥98% , CAS No.694-59-7

CAS: 694-59-7 Cat. No.: P165276 Peso molecular: 95.1 Beilstein Registry Number: 105257 Número EC: 211-774-6

GRADE & PURITY ≥98%

Synonyms

BP-30184 | ILVXOBCQQYKLDS-UHFFFAOYSA-N | Pyridine oxide | STR00435 | SY112170 | F20317 | NSC 18250 | PYRIDINE 1-OXIDE [MI] | pyridineoxide | pyridine-oxide | UNII-91F12JJJ4H | pyridin-1-ium-1-olate | F0001-1803 | EN300-1696783 | MFCD00006194 | Pyridine-1-

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

BP-30184 | ILVXOBCQQYKLDS-UHFFFAOYSA-N | Pyridine oxide | STR00435 | SY112170 | F20317 | NSC 18250 | PYRIDINE 1-OXIDE [MI] | pyridineoxide | pyridine-oxide | UNII-91F12JJJ4H | pyridin-1-ium-1-olate | F0001-1803 | EN300-1696783 | MFCD00006194 | Pyridine-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: C1=CC=[N+](C=C1)[O-]
• IUPAC Name: 1-oxidopyridin-1-ium
• InChIKey: ILVXOBCQQYKLDS-UHFFFAOYSA-N
• INCHI: 1S/C5H5NO/c7-6-4-2-1-3-5-6/h1-5H
• Isómeros SMILES: C1=CC=[N+](C=C1)[O-]
• WGK Alemania: 3
• RTECS: UT6410000
• Peso molecular: 95.1
• Beilstein: 105257
• Reaxy-Rn: 105257
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=105257&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Pyridinium derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinium derivatives
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridinium - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridinium derivatives. These are compounds containing a pyridinium ring, which is the cationic form of pyridine.
• External Descriptors: pyridine N-oxides

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water.
• Sensibilidad: Hygroscopic
• Punto de inflamación (°F): 289.4 °F
• Punto de inflamación (°C): 143 °C
• Punto de ebullición (°C): 270°C
• Punto de fusión (°C): 62°C
• Peso molecular: 95.100 g/mol
• XLogP3: -1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 95.0371 Da
• Monoisotopic Mass: 95.0371 Da
• Topological Polar Surface Area: 25.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 50.000
• 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

Referencias

1. Bowen Zheng, Haoran Zhang, Qianhe Liu, Tianyu Zhang, Zibo Yu, Jie Li, Hong Sun.  (2023)  Investigating the Role of an Anionic Surfactant in Optimizing Lithium–Air Batteries Based on Dissipative Particle Dynamics and Electrochemical Experiments.  Journal of Physical Chemistry C,      [PMID:] [10.1021/acs.jpcc.3c03932]