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

CAS: 616-42-2 Cat. No.: D106795 분자식: C₂H₆O₃S 분자량: 110.13 Beilstein Registry Number: 1700256 EC 번호: 210-481-0

GRADE & PURITY ≥99%

Synonyms

Dimethyl sulfite | Methyl sulfite

Storage

Protected from light,Room temperature,Argon charged,Desiccated

Shipped In

Normal

개요

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

동의어

Dimethyl sulfite | Methyl sulfite

사양 및 순도

≥99%

보관 조건

Protected from light,Room temperature,Argon charged,Desiccated

배송

Normal

순수함

≥99%

이름과 식별자

• Pubchem Sid: 488184261
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184261
• 정식 스마일: COS(=O)OC
• IUPAC Name: dimethyl sulfite
• InChIKey: BDUPRNVPXOHWIL-UHFFFAOYSA-N
• INCHI: 1S/C2H6O3S/c1-4-6(3)5-2/h1-2H3
• 이성체 SMILES: COS(=O)OC
• WGK 독일: 3
• RTECS: WT3512000
• UN 번호: 1993
• 분자량: 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
    • 분류 Organooxygen compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 감도: Air sensitive
• 굴절률: 1.4085-1.4105
• 발화점(°F): 100.4 °F
• 발화점(°C): 30℃
• 끓는점(°C): 126-127°C
• 분자량: 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

참고 문헌

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]

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store in a cool place, protected from light, desiccated, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 616-42-2, the molecular formula is C2H6O3S, and the molecular weight is 110.13 g/mol. InChIKey BDUPRNVPXOHWIL-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.