2-chloro-pyrimidine-5-sulfonyl chloride - ≥95% , CAS No.98026-88-1

CAS: 98026-88-1 Cat. No.: C482057 Molecular Weight: 213.03 EC Number: 801-061-3

GRADE & PURITY ≥95%

Synonyms

EN300-31378 | 5-Pyrimidinesulfonyl chloride, 2-chloro- | AKOS009132858 | 2-Chloro-Pyrimidine-5-SulfonylChloride | 2-Chloropyrimidine-5-sulfonylchloride | DTXSID30655769 | Z255150890 | F31292 | 2-CHLORO-PYRIMIDINE-5-SULFONYL CHLORIDE | 2-chloropyrimidine-5

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

EN300-31378 | 5-Pyrimidinesulfonyl chloride, 2-chloro- | AKOS009132858 | 2-Chloro-Pyrimidine-5-SulfonylChloride | 2-Chloropyrimidine-5-sulfonylchloride | DTXSID30655769 | Z255150890 | F31292 | 2-CHLORO-PYRIMIDINE-5-SULFONYL CHLORIDE | 2-chloropyrimidine-5

Specifications & Purity

≥95%

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

≥95%

Names and Identifiers

• Pubchem Sid: 504770215
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770215
• Canonical Smiles: C1=C(C=NC(=N1)Cl)S(=O)(=O)Cl
• IUPAC Name: 2-chloropyrimidine-5-sulfonyl chloride
• InChIKey: DMAOAJYJIATWJS-UHFFFAOYSA-N
• INCHI: 1S/C4H2Cl2N2O2S/c5-4-7-1-3(2-8-4)11(6,9)10/h1-2H
• Isomeric SMILES: C1=C(C=NC(=N1)Cl)S(=O)(=O)Cl
• Alternate CAS: 98026-88-1
• Molecular Weight: 213.03
• Reaxy-Rn: 150493
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=150493&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyrimidines and pyrimidine derivatives
        • Level5 Halopyrimidines
          • Level6 2-halopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Halopyrimidines
• Direct Parent: 2-halopyrimidines
• Alternative Parents: Aryl chlorides Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halopyrimidine - Aryl chloride - Aryl halide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl chloride - Sulfonyl halide - Sulfonyl - Heteroaromatic compound - Azacycle - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organohalogen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-halopyrimidines. These are aromatic compounds containing a pyrimidine ring substituted at the 2-position with a halogen atom.
• 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.
• Molecular Weight: 213.040 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 211.921 Da
• Monoisotopic Mass: 211.921 Da
• Topological Polar Surface Area: 68.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 217.000
• 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