1,3,2-Dioxathiolane 2,2-dioxide - ≥98% , CAS No.1072-53-3

CAS: 1072-53-3 Cat. No.: D120335 Formula: C₂H₄O₄S Molecular Weight: 124.12 EC Number: 600-809-4

GRADE & PURITY ≥98%

Synonyms

BRN 1237731 | CAS-1072-53-3 | ethosulfate | ethyl enesulfate | AKOS015855774 | AMY21937 | Glycol sulfate | EN300-365581 | MFCD00221769 | Q63088203 | 1,3,2-Dioxathiolane,2,2-dioxide; Ethyleneglycol, cyclic sulfate (8CI) | DTXCID70598 | 3-01-00-02110 (Beils

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

BRN 1237731 | CAS-1072-53-3 | ethosulfate | ethyl enesulfate | AKOS015855774 | AMY21937 | Glycol sulfate | EN300-365581 | MFCD00221769 | Q63088203 | 1,3,2-Dioxathiolane,2,2-dioxide; Ethyleneglycol, cyclic sulfate (8CI) | DTXCID70598 | 3-01-00-02110 (Beils

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: 488181934
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181934
• Canonical Smiles: C1COS(=O)(=O)O1
• IUPAC Name: 1,3,2-dioxathiolane 2,2-dioxide
• InChIKey: ZPFAVCIQZKRBGF-UHFFFAOYSA-N
• INCHI: 1S/C2H4O4S/c3-7(4)5-1-2-6-7/h1-2H2
• Isomeric SMILES: C1COS(=O)(=O)O1
• WGK Germany: 3
• Molecular Weight: 124.12
• Reaxy-Rn: 1237731
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1237731&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic sulfuric acids and derivatives
      • Subclass Sulfuric acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfuric acids and derivatives
• Subclass: Sulfuric acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfuric acid diesters
• Alternative Parents: Dioxathiolanes Alkyl sulfates Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Sulfuric acid diester - Alkyl sulfate - Dioxathiolane - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as sulfuric acid diesters. These are organic compounds containing the sulfuric acid diester functional group with the generic structure ROS(OR')(=O)=O, (R,R'=organyl group).
• 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: Chloroform, Methanol
• Sensitivity: Moisture sensitive
• Melt Point(°C): 95-97°C
• Molecular Weight: 124.120 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 123.983 Da
• Monoisotopic Mass: 123.983 Da
• Topological Polar Surface Area: 61.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 128.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1072-53-3, the molecular formula is C2H4O4S, and the molecular weight is 124.12 g/mol. InChIKey ZPFAVCIQZKRBGF-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.