Dimethyl sulfite(DS) - ≥99% , CAS No.616-42-2

CAS: 616-42-2 Cat. No.: D106795 Molecular Weight: 110.13 Beilstein Registry Number: 1700256 EC Number: 210-481-0

GRADE & PURITY ≥99%

Synonyms

Dimethyl sulfite | Methyl sulfite

Storage

Protected from light,Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Overview

Dimethyl sulfite is an insect repellent and also experimentally identified as a mutagenic agent.
The conformations and vibrational spectra of dimethyl sulfite was studied by matrix-isolation fourier transform infrared spectroscopy and to study its conformational selective aggregation. It may be used in organic synthesis.

Specifications

Synonyms

Dimethyl sulfite | Methyl sulfite

Specifications & Purity

≥99%

Storage

Protected from light, Room temperature, Argon charged, Desiccated, Cool

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488184261
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184261
• Canonical Smiles: COS(=O)OC
• IUPAC Name: dimethyl sulfite
• InChIKey: BDUPRNVPXOHWIL-UHFFFAOYSA-N
• INCHI: 1S/C2H6O3S/c1-4-6(3)5-2/h1-2H3
• Isomeric SMILES: COS(=O)OC
• WGK Germany: 3
• RTECS: WT3512000
• UN Number: 1993
• Molecular Weight: 110.13
• Beilstein: 1700256
• Reaxy-Rn: 1700256
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1700256&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: sulfite ester

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
• Refractive Index: 1.4085-1.4105
• Flash Point(°F): 100.4 °F
• Flash Point(°C): 30℃
• Boil Point(°C): 126-127°C
• Molecular Weight: 110.130 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 110.004 Da
• Monoisotopic Mass: 110.004 Da
• Topological Polar Surface Area: 54.700 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 46.800
• 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. Nie Kai, Liu Shaoyang, Zhao Tao, Tan Zhijian, Zhang Yuanming, Song Yan, Li Boya, Li Linlin, Lv Wanwan, Han Guangting, Jiang Wei.  (2022)  Efficient fractionation of biomass by acid deep eutectic solvent (DES) and rapid preparation of lignin nanoparticles.  Biomass Conversion and Biorefinery,      [PMID:] [10.1007/s13399-022-03496-9]

2. Hongxia Chen, Bin Liu, Ya Wang, Hao Guan, Hongming Zhou.  (2021)  Insight into wide temperature electrolyte based on lithiumdifluoro(oxalate)borate for high voltage lithium-ion batteries.  JOURNAL OF ALLOYS AND COMPOUNDS,      [PMID:] [10.1016/j.jallcom.2021.159966]

3. 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]