Diethyl Sulfite - ≥98% , CAS No.623-81-4

CAS: 623-81-4 Cat. No.: D122901 Molecular Weight: 138.18 Beilstein Registry Number: 1325 EC Number: 210-815-5

GRADE & PURITY ≥98%

Synonyms

LS-13014 | NSC-8838 | Ethyl sulfite | 4-01-00-01324 (Beilstein Handbook Reference) | EINECS 210-815-5 | A833750 | (C2H5O)2SO | D95289 | Ethyl sulfite, (Et2SO3) | D0528 | Diethyl sulfite | MFCD00009098 | Sulfurous acid, diethyl ester | TL 158 | Diethyl sul

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Specifications

Synonyms

LS-13014 | NSC-8838 | Ethyl sulfite | 4-01-00-01324 (Beilstein Handbook Reference) | EINECS 210-815-5 | A833750 | (C2H5O)2SO | D95289 | Ethyl sulfite, (Et2SO3) | D0528 | Diethyl sulfite | MFCD00009098 | Sulfurous acid, diethyl ester | TL 158 | Diethyl sul

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged, Desiccated, Cool

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488181581
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181581
• Canonical Smiles: CCOS(=O)OCC
• IUPAC Name: diethyl sulfite
• InChIKey: NVJBFARDFTXOTO-UHFFFAOYSA-N
• INCHI: 1S/C4H10O3S/c1-3-6-8(5)7-4-2/h3-4H2,1-2H3
• Isomeric SMILES: CCOS(=O)OCC
• RTECS: WT3511000
• UN Number: 1993
• Packing Group: III
• Molecular Weight: 138.18
• Beilstein: 1325
• Reaxy-Rn: 1701906
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1701906&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organooxygen compounds
• Alternative Parents: Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organooxygen compounds. These are organic compounds containing a bond between a carbon atom and an oxygen 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: air sensitive
• Flash Point(°F): 120.2(℉)
• Flash Point(°C): 49°C
• Boil Point(°C): 157°C
• Molecular Weight: 138.190 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 138.035 Da
• Monoisotopic Mass: 138.035 Da
• Topological Polar Surface Area: 54.700 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 65.700
• 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. Xu Liu, Xinghao Sun, Xixi Shi, Dawei Song, Hongzhou Zhang, Chunliang Li, Kai-Yao Wang, Chengwei Xiao, Xizheng Liu, Lianqi Zhang.  (2020)  Low-temperature and high-performance Si/graphite composite anodes enabled by sulfite additive.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2020.127782]