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

CAS: 1072-53-3 Cat. No.: D120335 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

References

1. Bo Pang, Zihao Fan, Wanting Chen, Xiaoming Yan, Ruohan Du, Xiaozhou Wang, Xuemei Wu, Fujun Cui, Minggang Guo, Gaohong He.  (2022)  Hydrolysis of ionic clusters to induce interconnective sieving pores in ion-conductive membranes for vanadium flow batteries.  Journal of Materials Chemistry A,  10  (46): (24510-24518).  [PMID:] [10.1039/D2TA05778F]

2. Sheng Lei, Ziqi Zeng, Yuanke Wu, Zeyang Long, Xiaohang Li, Mengchuang Liu, Shijie Cheng, Jia Xie.  (2022)  Cosolvent Engineered Phosphaphenanthrene-Based Self-Extinguishing Electrolyte for Safer Lithium-Ion Batteries.  ACS Applied Energy Materials,      [PMID:] [10.1021/acsaem.2c01007]

3. Weidong Wu, Yukun Zeng, Chen Zhou, Xin Zhou, Shengyang Yang.  (2024)  Engineering graphene oxide and hydrogel coatings on fabrics for smart Janus textiles with superior thermal regulation.  CHINESE JOURNAL OF CHEMICAL ENGINEERING,      [PMID:] [10.1016/j.cjche.2024.05.027]

4. Mingyuan Gu, Hongwei Fu, Apparao M. Rao, Jiang Zhou, Yue lin, Shuangchun Wen, Ling Fan, Bingan Lu.  (2024)  In Situ Construction of Uniform and Elastic Solid–Electrolyte Interphase for High-Performance Potassium Batteries.  ADVANCED FUNCTIONAL MATERIALS,  34  (46): (2407867).  [PMID:] [10.1002/adfm.202407867]

5. Zhi Zhang, Shuai Gao, Haipeng Guo, Yi Wang, Tong Liao, Dongsheng Zhang, Wenqi Zhu, Maohui Bai, Chaochao Fu, Xing Ou, Jixue Shen.  (2024)  Multicomponent additive-mediated interfacial engineering enables highly stable lithium-ion pouch cells under harsh working conditions.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.158517]