Methanedisulfonyl Dichloride - ≥95% , CAS No.5799-68-8

CAS: 5799-68-8 Cat. No.: M158755 Summenformel: CH₂Cl₂O₄S₂ Molekulargewicht: 213.04 Beilstein Registry Number: 1(3)2585 EG-Nummer: 227-350-9

GRADE & PURITY ≥95%

Synonyms

DKZQZHQHDMVGHE-UHFFFAOYSA-N | Methanedisulfonyl Dichloride | Methandisulfonylchlorid | M1669 | BS-23592 | InChI=1/CH2Cl2O4S2/c2-8(4,5)1-9(3,6)7/h1H2 | bis(chlorosulfonyl)methane | QBK9Z6LSV7 | Methanedisulphonyl dichloride | T72656 | DKZQZHQHDMVGHE-UHFFFA

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyme

DKZQZHQHDMVGHE-UHFFFAOYSA-N | Methanedisulfonyl Dichloride | Methandisulfonylchlorid | M1669 | BS-23592 | InChI=1/CH2Cl2O4S2/c2-8(4,5)1-9(3,6)7/h1H2 | bis(chlorosulfonyl)methane | QBK9Z6LSV7 | Methanedisulphonyl dichloride | T72656 | DKZQZHQHDMVGHE-UHFFFA

Spezifikationen & Reinheit

≥95%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 488185791
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185791
• Kanonisches Lächeln: C(S(=O)(=O)Cl)S(=O)(=O)Cl
• IUPAC Name: methanedisulfonyl chloride
• InChIKey: DKZQZHQHDMVGHE-UHFFFAOYSA-N
• INCHI: 1S/CH2Cl2O4S2/c2-8(4,5)1-9(3,6)7/h1H2
• Isomere SMILES: C(S(=O)(=O)Cl)S(=O)(=O)Cl
• Molekulargewicht: 213.04
• Beilstein: 1(3)2585
• Reaxy-Rn: 1812620
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1812620&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Klasse Sulfonyl halides
      • Subclass Sulfonyl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Klasse: Sulfonyl halides
• Subclass: Sulfonyl chlorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfonyl chlorides
• Alternative Parents: Sulfonyls Organosulfonic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfonyl - Sulfonyl chloride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as sulfonyl chlorides. These are compounds containing a sulfonyl (R-S(=O)2-R') functional group singly bonded to a chlorine 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air sensitive,Moisture sensitive
• Brechungsindex: 1.52
• Flammpunkt (°C): 138°
• Siedepunkt (°C): 138°C/15mmHg(lit.)
• Molekulargewicht: 213.100 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 211.877 Da
• Monoisotopic Mass: 211.877 Da
• Topological Polar Surface Area: 85.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 231.000
• 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