Isopropylsulfonyl Chloride - ≥95%(GC) , CAS No.10147-37-2

CAS: 10147-37-2 Cat. No.: I157703 Molecular Weight: 142.6 EC Number: 233-415-2

GRADE & PURITY ≥95%(GC)

Synonyms

Ethyl-2-methylthio-4-methyl-5-pyrimidine carboxylate | AKOS005206819 | propan-2-sulfonyl chlorid | Isopropyl sulfonyl chloride | J-000405 | 2-propylsulfonyl chloride | DTXSID60143942 | 2-Propanesulfonylchloride | CK2509 | EINECS 233-415-2 | isopropyl sulp

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

The solvolysis of 2-propanesulfonyl chloride by an addition-elimination (association-dissociation) pathway was studied.
2-Propanesulfonyl chloride (isopropylsulfonyl chloride) can be used as a reactant to prepare:
1-Isopropylsulfonyl-2-amine benzimidazole by reacting with 2-aminobenzimidazole via N-sulfonylation reaction in the presence of a base.
Bis(isopropylsulfonyl)disulfide, a sulfurizing agent, used to synthesize phosphorothioate oligonucleotide analogs.

Specifications

Synonyms

Ethyl-2-methylthio-4-methyl-5-pyrimidine carboxylate | AKOS005206819 | propan-2-sulfonyl chlorid | Isopropyl sulfonyl chloride | J-000405 | 2-propylsulfonyl chloride | DTXSID60143942 | 2-Propanesulfonylchloride | CK2509 | EINECS 233-415-2 | isopropyl sulp

Specifications & Purity

≥95%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%(GC)

Names and Identifiers

• Pubchem Sid: 504755606
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755606
• Canonical Smiles: CC(C)S(=O)(=O)Cl
• IUPAC Name: propane-2-sulfonyl chloride
• InChIKey: DRINJBFRTLBHNF-UHFFFAOYSA-N
• INCHI: 1S/C3H7ClO2S/c1-3(2)7(4,5)6/h3H,1-2H3
• Isomeric SMILES: CC(C)S(=O)(=O)Cl
• WGK Germany: 3
• Molecular Weight: 142.6
• Reaxy-Rn: 1747497
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1747497&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Sulfonyl halides
      • Subclass Sulfonyl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Sulfonyl halides
• Subclass: Sulfonyl chlorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfonyl chlorides
• Alternative Parents: Sulfonyls Organosulfonic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfonyl - Sulfonyl chloride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as sulfonyl chlorides. These are compounds containing a sulfonyl (R-S(=O)2-R') functional group singly bonded to a chlorine 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

• Solubility: Reacts with water.
• Sensitivity: Moisture sensitive
• Refractive Index: 1.453
• Flash Point(°F): 186.8 °F
• Flash Point(°C): 86°C(lit.)
• Boil Point(°C): 74-75 °C/19 mmHg
• Melt Point(°C): -47℃
• Molecular Weight: 142.610 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 141.986 Da
• Monoisotopic Mass: 141.986 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 130.000
• 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