Sulfur trioxide pyridine complex - ≥97% , CAS No.26412-87-3

CAS: 26412-87-3 Cat. No.: S106808 Molecular Weight: 159.16 Beilstein Registry Number: 3704116 EC Number: 247-683-3 PubChem CID: 168533

GRADE & PURITY ≥97%

Synonyms

Py.SO3 | J-524102 | Cerium sputtering target, 76.2mm dia x 1.59mm thick | pyridine sulphur trioxide | Pyridine sulfotrioxide | UNII-SVL47N2N3Y | AKOS005258855 | DTXSID50885349 | SO3.Pyridine | pyridine; sulfonylideneoxidane | EINECS 248-968-5 | MFCD000124

Storage

Room temperature,Argon charged,Cool

Shipped In

Normal

Overview

Usually used for sulfations of alcohols, sulfonations, deoxygenations and other reductions, oxidations with DMSO.

Specifications

Synonyms

Py.SO3 | J-524102 | Cerium sputtering target, 76.2mm dia x 1.59mm thick | pyridine sulphur trioxide | Pyridine sulfotrioxide | UNII-SVL47N2N3Y | AKOS005258855 | DTXSID50885349 | SO3.Pyridine | pyridine; sulfonylideneoxidane | EINECS 248-968-5 | MFCD000124

Specifications & Purity

≥97%

Storage

Room temperature, Argon charged, Cool

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504757622
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757622
• Canonical Smiles: C1=CC=NC=C1.O=S(=O)=O
• IUPAC Name: pyridine;sulfur trioxide
• InChIKey: UDYFLDICVHJSOY-UHFFFAOYSA-N
• INCHI: 1S/C5H5N.O3S/c1-2-4-6-5-3-1;1-4(2)3/h1-5H
• Isomeric SMILES: C1=CC=NC=C1.O=S(=O)=O
• WGK Germany: 3
• PubChem CID: 168533
• UN Number: 3261
• Molecular Weight: 159.16
• Beilstein: 3704116
• Reaxy-Rn: 3704116

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - 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 pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• 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

Chemical and Physical Properties

• Solubility: Soluble in polar organic solvents.
• Sensitivity: Moisture sensitive.
• Melt Point(°C): 160°C
• Molecular Weight: 159.170 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 158.999 Da
• Monoisotopic Mass: 158.999 Da
• Topological Polar Surface Area: 65.099 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 92.800
• 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

References

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