4-Methyl-1,3,2-dioxathiolane 2,2-Dioxide - ≥98% , CAS No.5689-83-8

CAS: 5689-83-8 Cat. No.: M158558 Peso molecular: 138.14 Número EC: 806-954-1

GRADE & PURITY ≥98%

Synonyms

MFCD26131319 | PROPANE 1,2-CYCLIC SULFATE | 4-methyl-1,3,2-dioxathiolane 2,2-dioxide | SCHEMBL126250 | 1,3,2-Dioxathiolane,4-methyl-,2,2-dioxide | H10841 | EN300-1710177 | MFCD06795150 | 4-Methyl-1,3,2-dioxathiolane2,2-Dioxide | Propane-1,2-cyclic sulfate

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

MFCD26131319 | PROPANE 1, 2-CYCLIC SULFATE | 4-methyl-1, 3, 2-dioxathiolane 2, 2-dioxide | SCHEMBL126250 | 1, 3, 2-Dioxathiolane, 4-methyl-, 2, 2-dioxide | H10841 | EN300-1710177 | MFCD06795150 | 4-Methyl-1, 3, 2-dioxathiolane2, 2-Dioxide | Propane-1, 2-cyclic sulfate

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1COS(=O)(=O)O1
• IUPAC Name: 4-methyl-1,3,2-dioxathiolane 2,2-dioxide
• InChIKey: OQXNUCOGMMHHNA-UHFFFAOYSA-N
• INCHI: 1S/C3H6O4S/c1-3-2-6-8(4,5)7-3/h3H,2H2,1H3
• Isómeros SMILES: CC1COS(=O)(=O)O1
• Peso molecular: 138.14
• Reaxy-Rn: 3538009
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3538009&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic sulfuric acids and derivatives
      • Subclass Sulfuric acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic sulfuric acids and derivatives
• Subclass: Sulfuric acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfuric acid diesters
• Alternative Parents: Dioxathiolanes Alkyl sulfates Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Sulfuric acid diester - Alkyl sulfate - Dioxathiolane - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as sulfuric acid diesters. These are organic compounds containing the sulfuric acid diester functional group with the generic structure ROS(OR')(=O)=O, (R,R'=organyl group).
• 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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Índice de refracción: 1.42
• Punto de ebullición (°C): 50°C/0.1mmHg(lit.)
• Punto de fusión (°C): 88 °C
• Peso molecular: 138.140 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 137.999 Da
• Monoisotopic Mass: 137.999 Da
• Topological Polar Surface Area: 61.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 164.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1