Pyridinium Dichromate - ≥98% , CAS No.20039-37-6

CAS: 20039-37-6 Cat. No.: P122663 Peso molecular: 376.2 Número EC: 243-478-8

GRADE & PURITY ≥98%

Synonyms

Corey-Schmidt reagent | SCHEMBL8634 | Pyridinium Dichromate (PDC); bis(pyridium) chromate; | FT-0637939 | D72509 | dipyridinium dichromate | Cornforth reagent | AKOS015833213 | P0931 | C10H12Cr2N2O7 | DTXSID60889393 | Q418276 | J-012967 | dipyridinium mu

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Oxidizing agent for conversion of primary alcohols to aldehydes and ketones acetals to esters and didehydroketones to enones in the presence of tert-butyl hydroperoxide.

Specifications

Sinónimos

Corey-Schmidt reagent | SCHEMBL8634 | Pyridinium Dichromate (PDC); bis(pyridium) chromate; | FT-0637939 | D72509 | dipyridinium dichromate | Cornforth reagent | AKOS015833213 | P0931 | C10H12Cr2N2O7 | DTXSID60889393 | Q418276 | J-012967 | dipyridinium mu

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=[NH+]C=C1.C1=CC=[NH+]C=C1.[O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-]
• IUPAC Name: oxido-(oxido(dioxo)chromio)oxy-dioxochromium;pyridin-1-ium
• InChIKey: LMYWWPCAXXPJFF-UHFFFAOYSA-P
• INCHI: 1S/2C5H5N.2Cr.7O/c2*1-2-4-6-5-3-1;;;;;;;;;/h2*1-5H;;;;;;;;;/q;;;;;;;;;2*-1/p+2
• Isómeros SMILES: C1=CC=[NH+]C=C1.C1=CC=[NH+]C=C1.[O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-]
• WGK Alemania: 2
• Número ONU: 1479
• Grupo de embalaje: II
• Peso molecular: 376.2
• Reaxy-Rn: 11460878
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11460878&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organic oxoanionic compounds
      • Subclass Organic dichromates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organic oxoanionic compounds
• Subclass: Organic dichromates
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic dichromates
• Alternative Parents: Pyridinium derivatives Heteroaromatic compounds Organic transition metal salts Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Organic dichromate - Pyridinium - Pyridine - Heteroaromatic compound - Azacycle - Organic metal salt - Organic transition metal salt - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as organic dichromates. These are organic compounds containing a dichromate moiety.
• 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 water, dimethyl formamide, dimethyl sulfoxide and acetonitrile. Slightly soluble in dichloromethane, chloroform and acetone. Insoluble in hexane, ether and ethyl acetate.
• Sensibilidad: Hygroscopic
• Punto de fusión (°C): 145-147°C
• Peso molecular: 376.200 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 375.945 Da
• Monoisotopic Mass: 375.945 Da
• Topological Polar Surface Area: 152.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 225.000
• 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: 3

XLogP3

Referencias

1. Bian Li, Junde Zhang, Juan Wang, Xiaofang Chen.  (2024)  Aggregation-Induced Emission-Active Cyanostilbene-Based Liquid Crystals: Self-Assembly, Photophysical Property, and Multiresponsive Behavior.  MOLECULES,  29  (23): (5811).  [PMID:39683967] [10.3390/molecules29235811]