Di-t-butyl(3-sulfonatopropyl)phosphine - ≥95% , CAS No.1055888-89-5

CAS: 1055888-89-5 Cat. No.: D299750 Peso molecular: 268.35 Número EC: 811-453-6

GRADE & PURITY ≥95%

Synonyms

AKOS037646261 | 3-[Bis(1,1-dimethylethyl)phosphino]-1-propanesulfonic acid | AS-67686 | DTBPPS | 1055888-89-5 | C11H25O3PS | F15003 | MFCD12546062 | 3-ditert-butylphosphanylpropane-1-sulfonic acid | Di-t-butyl(3-sulfonatopropyl)phosphine | 3-(Di-tert-buty

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

application：

Air stable, water soluble phosphine ligand used in palladium catalyzed cross-coupling reactions

Specifications

Sinónimos

AKOS037646261 | 3-[Bis(1, 1-dimethylethyl)phosphino]-1-propanesulfonic acid | AS-67686 | DTBPPS | 1055888-89-5 | C11H25O3PS | F15003 | MFCD12546062 | 3-ditert-butylphosphanylpropane-1-sulfonic acid | Di-t-butyl(3-sulfonatopropyl)phosphine | 3-(Di-tert-buty

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488200725
• Sonrisas canónicas: CC(C)(C)P(CCCS(=O)(=O)O)C(C)(C)C
• IUPAC Name: 3-ditert-butylphosphanylpropane-1-sulfonic acid
• InChIKey: JPNPRWMRUCIEMN-UHFFFAOYSA-N
• INCHI: 1S/C11H25O3PS/c1-10(2,3)15(11(4,5)6)8-7-9-16(12,13)14/h7-9H2,1-6H3,(H,12,13,14)
• Isómeros SMILES: CC(C)(C)P(CCCS(=O)(=O)O)C(C)(C)C
• Peso molecular: 268.35
• Reaxy-Rn: 18821377
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18821377&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonic acids
• Alternative Parents: Sulfonyls Alkanesulfonic acids Organophosphorus compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organic zwitterion - Organosulfur compound - Organophosphorus compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as organosulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom).
• 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

• Solubilidad: Slightly soluble in water.
• Sensibilidad: Moisture Sensitive & Air Sensitive.
• Punto de fusión (°C): 132 °C
• Peso molecular: 268.360 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 268.126 Da
• Monoisotopic Mass: 268.126 Da
• Topological Polar Surface Area: 62.800 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 290.000
• 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