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 CE: 809-931-4

GRAU & 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

Especificações

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

Especificações e pureza

≥97%(GC)

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%(GC)

Nomes e identificadores

Pubchem Sid

504769032

Pubchem Sid Url

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

Sorrisos canónicos

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

SMILES isoméricas

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
    • Classe Sulfonyls
      • Subclass Sulfones

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Índice de refração: 1.45
• Ponto de inflamação (°C): 101 °C
• Ponto de ebulição (°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