1,3-Propanesultone - ≥99%, acid ≤200 ppm, H2O ≤100 ppm , CAS No.1120-71-4

CAS: 1120-71-4 Cat. No.: P431493 Summenformel: C₃H₆O₃S Molekulargewicht: 122.14 Beilstein Registry Number: 109782 EG-Nummer: 214-317-9

GRADE & PURITY ≥99%, acid ≤200 ppm, H2O ≤100 ppm

Synonyms

1,3-Propanesultone, 98% | GS-6714 | 3-Hydroxy-1-propanesulfonic acid, sultone | [1,2]oxathiolane 2,2-dioxide | 1,3-TRIMETHYLENE SULTONE | 3-Hydroxy-1-propanesulfonic acid gamma-sultone | 3-HYDROXY-1-PROPANESULFONIC ACID SULTONE | 3-HYDROXYPROPANESULFONIC

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Übersicht

Application

The presence of electrolyte additives enhances the performance of lithium ion batteries by improving their thermal stability and ionic conductivity. Additives also reduce the flammability of electrolytes and provide overcharge protection. 1,3-Propanesultone finds application as an additive in lithium ion batteries.

Other Notes

These additives have low water content (<100 ppm). Please handle under inert and moisture free environment (glove box). Keep containers tightly closed. Keep away from heat and ignition sources. Store in a cool and dry place. Avoid storing together with oxidizers. Application as an additive in lithium ion batteries.

Specifications

Synonyme

1,3-Propanesultone, 98% | GS-6714 | 3-Hydroxy-1-propanesulfonic acid, sultone | [1,2]oxathiolane 2,2-dioxide | 1,3-TRIMETHYLENE SULTONE | 3-Hydroxy-1-propanesulfonic acid gamma-sultone | 3-HYDROXY-1-PROPANESULFONIC ACID SULTONE | 3-HYDROXYPROPANESULFONIC

Spezifikationen & Reinheit

≥99%, acid ≤200 ppm, H2O ≤100 ppm

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

508807010

Kanonisches Lächeln

C1COS(=O)(=O)C1

IUPAC Name

oxathiolane 2,2-dioxide

InChIKey

FSSPGSAQUIYDCN-UHFFFAOYSA-N

INCHI

1S/C3H6O3S/c4-7(5)3-1-2-6-7/h1-3H2

Isomere SMILES

C1COS(=O)(=O)C1

WGK Deutschland

3

RTECS

RP5425000

UN-Nummer

2810

Verpackungsgruppe

I

Molekulargewicht

122.14

Beilstein

109782

Reaxy-Rn

109782

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=109782&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Oxathiolanes
      • Subclass Gamma sultones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Oxathiolanes
• Subclass: Gamma sultones
• Intermediate Tree Nodes: Not available
• Direct Parent: Gamma sultones
• Alternative Parents: Sulfonic acid esters Organosulfonic acid esters Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Gamma-sultone - Organosulfonic acid ester - Sulfonic acid ester - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Oxacycle - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as gamma sultones. These are organic compounds containing a gamma-sultone, a Intramolecular cyclic ester of hydroxy sulfonic acid, with a SO ring bond, and three ring carbon atoms.
• External Descriptors: sultone

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

• Löslichkeit: Soluble in water (100 mg/ml), chloroform, esters, methanol, and aromatic hydrocartions.
• Empfindlichkeit: Moisture sensitive
• Gefrierpunkt (°C): 32 °C
• Flammpunkt (°F): >230 °F
• Flammpunkt (°C): >110 °C
• Siedepunkt (°C): 180 °C/30 mmHg
• Schmelzpunkt (°C): 32°C
• Molekulargewicht: 122.150 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 122.004 Da
• Monoisotopic Mass: 122.004 Da
• Topological Polar Surface Area: 51.800 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 140.000
• 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