Di-terc-butilfosfato de tetrabutilamonio - ≥95% , CAS No.68695-48-7

CAS: 68695-48-7 Cat. No.: B301367 Peso molecular: 451.68 Número EC: 870-191-0

GRADE & PURITY ≥95%

Synonyms

Sal de di-terc-butilfosfato,tetrabutilamonio | MFCD12198885 | Di-terc-butilfosfato de tetrabutilamonio | Fosfato de ditert-butilo;tetrabutilazonio | Di-terc-butilfosfato de tetra-n-butilamonio(1:1.2-1.5) | Di-terc-butilfosfato de tetra-n-butilamonio

Storage

Conservar a 2-8°C,Protegido de la luz,Cargado con argón

Shipped In

Hielo húmedo

Specifications

Sinónimos

Sal de di-terc-butilfosfato, tetrabutilamonio | MFCD12198885 | Di-terc-butilfosfato de tetrabutilamonio | Fosfato de ditert-butilo;tetrabutilazonio | Di-terc-butilfosfato de tetra-n-butilamonio(1:1.2-1.5) | Di-terc-butilfosfato de tetra-n-butilamonio

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, Protegido de la luz, Cargado con argón

Enviado en

Hielo húmedo

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CCCC[N+](CCCC)(CCCC)CCCC.CC(C)(C)OP(=O)([O-])OC(C)(C)C
• IUPAC Name: ditert-butyl phosphate;tetrabutylazanium
• InChIKey: ZMBZPMVMLZIOPS-UHFFFAOYSA-M
• INCHI: 1S/C16H36N.C8H19O4P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-7(2,3)11-13(9,10)12-8(4,5)6/h5-16H2,1-4H3;1-6H3,(H,9,10)/q+1;/p-1
• Isómeros SMILES: CCCC[N+](CCCC)(CCCC)CCCC.CC(C)(C)OP(=O)([O-])OC(C)(C)C
• Peso molecular: 451.68
• Reaxy-Rn: 5799384
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5799384&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic phosphoric acids and derivatives
      • Subclass Phosphate esters
        • Level5 Alkyl phosphates
          • Level6 Dialkyl phosphates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic phosphoric acids and derivatives
• Subclass: Phosphate esters
• Intermediate Tree Nodes: Alkyl phosphates
• Direct Parent: Dialkyl phosphates
• Alternative Parents: Tetraalkylammonium salts Organooxygen compounds Organic oxides Hydrocarbon derivatives Amines Organic cations
• Molecular Framework: Not available
• Substituents: Dialkyl phosphate - Tetraalkylammonium salt - Quaternary ammonium salt - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Organic cation - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dialkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly two alkyl chain.
• 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

• Sensibilidad: Light sensitive；Hygroscopic
• Peso molecular: 451.700 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 16
• Exact Mass: 451.379 Da
• Monoisotopic Mass: 451.379 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 299.000
• 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: 2

XLogP3