Pyridine-3-sulfonyl chloride - ≥98% , CAS No.16133-25-8

CAS: 16133-25-8 Cat. No.: P305086 Molecular Weight: 177.61 EC Number: 688-270-1 PubChem CID: 3164136

GRADE & PURITY ≥98%

Synonyms

AB15457 | pyridine-3-sulphonylchloride | BCP12293 | J-524122 | pyridine-3-sulfonyl hydrochloride | EN300-30525 | 3-pyridinesulphonylchloride | CDRNYKLYADJTMN-UHFFFAOYSA-N | pyridine-3-sulfonylchloride | 3-Pyridylsulfonyl chloride | MFCD03452747 | FT-06501

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Product Describtion:

Pyridine-3-sulfonyl chloride belongs to the class of substituted sulfonyl chlorides, which can be used as derivatization agents owing to their high proton affinity.

Specifications

Synonyms

AB15457 | pyridine-3-sulphonylchloride | BCP12293 | J-524122 | pyridine-3-sulfonyl hydrochloride | EN300-30525 | 3-pyridinesulphonylchloride | CDRNYKLYADJTMN-UHFFFAOYSA-N | pyridine-3-sulfonylchloride | 3-Pyridylsulfonyl chloride | MFCD03452747 | FT-06501

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504762497
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762497
• Canonical Smiles: C1=CC(=CN=C1)S(=O)(=O)Cl
• IUPAC Name: pyridine-3-sulfonyl chloride
• InChIKey: CDRNYKLYADJTMN-UHFFFAOYSA-N
• INCHI: 1S/C5H4ClNO2S/c6-10(8,9)5-2-1-3-7-4-5/h1-4H
• Isomeric SMILES: C1=CC(=CN=C1)S(=O)(=O)Cl
• Alternate CAS: 16133-25-8
• PubChem CID: 3164136
• Molecular Weight: 177.61

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: Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - Heteroaromatic compound - Sulfonyl - Sulfonyl halide - Sulfonyl chloride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - 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

• Sensitivity: Moisture sensitive.
• Boil Point(°C): 284
• Molecular Weight: 177.610 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 176.965 Da
• Monoisotopic Mass: 176.965 Da
• Topological Polar Surface Area: 55.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 196.000
• 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