Ethyl Isopropyl Sulfone - ≥97%(GC) , CAS No.4853-75-2

CAS: 4853-75-2 Cat. No.: E156276 Fórmula: C₅H₁₂O₂S Peso molecular: 136.21 Beilstein Registry Number: 1(4)1501 Número EC: 809-931-4

CALIDAD & PUREZA ≥97%(GC)

Synonyms

AS-57970 | E0475 | Ethyl Isopropyl Sulfone | 2-ethylsulfonylpropane | Ethy isopropyl sulfone | D90526 | DTXSID50617324 | 2-(Ethylsulfonyl)propane | AKOS015838545 | 2-(ETHANESULFONYL)PROPANE | MFCD00050418 | Propane, 2-(ethylsulfonyl)- | SCHEMBL148219

Storage

Store at 2-8°C

Shipped In

Wet ice

Especificaciones

Sinónimos

AS-57970 | E0475 | Ethyl Isopropyl Sulfone | 2-ethylsulfonylpropane | Ethy isopropyl sulfone | D90526 | DTXSID50617324 | 2-(Ethylsulfonyl)propane | AKOS015838545 | 2-(ETHANESULFONYL)PROPANE | MFCD00050418 | Propane, 2-(ethylsulfonyl)- | SCHEMBL148219

Especificaciones y pureza

≥97%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥97%(GC)

Nombres e identificadores

Pubchem Sid

504769032

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504769032

Sonrisas canónicas

CCS(=O)(=O)C(C)C

IUPAC Name

2-ethylsulfonylpropane

InChIKey

RDKKQZIFDSEMNU-UHFFFAOYSA-N

INCHI

1S/C5H12O2S/c1-4-8(6,7)5(2)3/h5H,4H2,1-3H3

Isómeros SMILES

CCS(=O)(=O)C(C)C

Peso molecular

136.21

Beilstein

1(4)1501

Reaxy-Rn

1745031

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1745031&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Clase Sulfonyls
      • Subclass Sulfones

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Clase: Sulfonyls
• Subclass: Sulfones
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfones
• Alternative Parents: Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as sulfones. These are compounds containing a sulfonyl group( which as the general structure RS(=O)2R' (R,R' =alkyl, aryl)) attached to 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

• Índice de refracción: 1.45
• Punto de inflamación (°C): 101 °C
• Punto de ebullición (°C): 91°C/2mmHg(lit.)
• Peso molecular: 136.210 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 136.056 Da
• Monoisotopic Mass: 136.056 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 138.000
• 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