1,3-propanesulfonate - ≥99% , CAS No.1120-71-4

CAS: 1120-71-4 Cat. No.: P105652 Formule: C₃H₆O₃S Poids moléculaire: 122.14 Beilstein Registry Number: 109782 Numéro CE: 214-317-9

QUALITÉ & PURETÉ ≥99%

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

Vue d’ensemble

1,3-Propanesultone is a cyclic sulfonic ester mainly used to introduce a propane sulfonic functionality into the organic structure.

1,3-Propanesultone has been used in preparation of poly[2-ethynyl-N-(propylsulfonate)pyridinium betaine],novel poly(4-vinylpyridine) supported acidic ionic liquid catalyst,novel poly(4-vinylpyridine) supported acidic ionic liquid catalyst.

Spécifications

Synonymes

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

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥99%

Noms et identifiants

Pubchem Sid

504752541

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752541

Sourires canoniques

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

Isomères SMILES

C1COS(=O)(=O)C1

WGK Allemagne

3

RTECS

RP5425000

Numéro ONU

2810

Groupe d'emballage

I

Poids moléculaire

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
    • Classe Oxathiolanes
      • Subclass Gamma sultones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Soluble in water (100 mg/ml), chloroform, esters, methanol, and aromitic hydrocartions.
• Sensibilité: Moisture Sensitive
• Point de congélation (°C): 32 °C
• Point d'éclair (°F): >230 °F
• Point d'éclair (°C): >110 °C
• Point d'ébullition (°C): 180 °C/30 mmHg
• Point de fusion (°C): 32°C
• Poids moléculaire: 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

Foire aux questions

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1120-71-4, the molecular formula is C3H6O3S, and the molecular weight is 122.14 g/mol. InChIKey FSSPGSAQUIYDCN-UHFFFAOYSA-N.

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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.