1,3,2-Dioxathiane 2-Oxide - ≥99.5% , CAS No.4176-55-0

CAS: 4176-55-0 Cat. No.: D137600 Peso molecular: 122.14 Número EC: 224-044-7

GRADE & PURITY ≥99.5%

Synonyms

TMS | EINECS 224-044-7 | FT-0687199 | 1,3,2-Dioxathiane 2-oxide | DS-11427 | NSC78687 | NSC-78687 | 1,3-Propylene sulfite | Trimethylene sulfite | AKOS006277349 | InChI=1/C3H6O3S/c4-7-5-2-1-3-6-7/h1-3H | NSC 78687 | SCHEMBL186292 | 1,3-Propylene sulfite,

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Usually used as high temperature additive for electrolytes in Lithium ion batteries.And it also improves the decomposition resistance of the electrolyte

Specifications

Sinónimos

TMS | EINECS 224-044-7 | FT-0687199 | 1, 3, 2-Dioxathiane 2-oxide | DS-11427 | NSC78687 | NSC-78687 | 1, 3-Propylene sulfite | Trimethylene sulfite | AKOS006277349 | InChI=1/C3H6O3S/c4-7-5-2-1-3-6-7/h1-3H | NSC 78687 | SCHEMBL186292 | 1, 3-Propylene sulfite,

Especificaciones y pureza

≥99.5%

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

≥99.5%

Nombres e identificadores

• Sonrisas canónicas: C1COS(=O)OC1
• IUPAC Name: 1,3,2-dioxathiane 2-oxide
• InChIKey: LOURZMYQPMDBSR-UHFFFAOYSA-N
• INCHI: 1S/C3H6O3S/c4-7-5-2-1-3-6-7/h1-3H2
• Isómeros SMILES: C1COS(=O)OC1
• Peso molecular: 122.14
• Reaxy-Rn: 1237362
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1237362&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Dioxathiolanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Dioxathiolanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Dioxathiolanes
• Alternative Parents: Sulfite esters Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Dioxathiolane - Sulfite ester - Oxacycle - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dioxathiolanes. These are organic heterocyclic compounds containing a dioxathiolane, with a structure consisting of a five-membered saturated ring with one sulfur atom, two oxygen atoms, and 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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive.
• Índice de refracción: n20/D 1.453
• Punto de inflamación (°F): 183.2℉
• Punto de inflamación (°C): 84°C
• Punto de ebullición (°C): 54°C/8mmHg
• Punto de fusión (°C): -14 °C
• Peso molecular: 122.150 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 122.004 Da
• Monoisotopic Mass: 122.004 Da
• Topological Polar Surface Area: 54.700 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 74.200
• 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