Methyl Methanesulfonylacetate - ≥98%(GC) , CAS No.62020-09-1

CAS: 62020-09-1 Cat. No.: M123593 Formule: C₄H₈O₄S Poids moléculaire: 152.17 Beilstein Registry Number: 2412782 Numéro CE: 805-598-4

GRADE & PURITY ≥98%(GC)

Synonyms

2-(methylsulfonyl)-1-methoxyethanone | methyl 2-methanesulfonylacetate | MFCD00051842 | FT-0628752 | Methylsulfonylacetic acid methyl ester | Acetic acid, 2-(methylsulfonyl)-, methyl ester | Methyl Methanesulfonylacetate | M1332 | SCHEMBL1968530 | Acetic

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

2-(methylsulfonyl)-1-methoxyethanone | methyl 2-methanesulfonylacetate | MFCD00051842 | FT-0628752 | Methylsulfonylacetic acid methyl ester | Acetic acid, 2-(methylsulfonyl)-, methyl ester | Methyl Methanesulfonylacetate | M1332 | SCHEMBL1968530 | Acetic

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

• Pubchem Sid: 488193154
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488193154
• Sourires canoniques: COC(=O)CS(=O)(=O)C
• IUPAC Name: methyl 2-methylsulfonylacetate
• InChIKey: RQKDASVRZONLNQ-UHFFFAOYSA-N
• INCHI: 1S/C4H8O4S/c1-8-4(5)3-9(2,6)7/h3H2,1-2H3
• Isomères SMILES: COC(=O)CS(=O)(=O)C
• Poids moléculaire: 152.17
• Beilstein: 2412782
• Reaxy-Rn: 2412782
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2412782&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Sulfonyls
      • Subclass Sulfones

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: Sulfonyls
• Subclass: Sulfones
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfones
• Alternative Parents: Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Methyl ester - Sulfone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as sulfones. These are compounds containing a sulfonyl group( which as the general structure RS(=O)2R' (R,R' =alkyl, aryl)) attached to two carbon atoms.
• 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

Propriétés chimiques et physiques

• Solubilité: Soluble in methanol. Insoluble in water.
• Point de fusion (°C): 59-63°C
• Poids moléculaire: 152.170 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 152.014 Da
• Monoisotopic Mass: 152.014 Da
• Topological Polar Surface Area: 68.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 185.000
• 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

Foire aux questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 62020-09-1, the molecular formula is C4H8O4S, and the molecular weight is 152.17 g/mol. InChIKey RQKDASVRZONLNQ-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.