Triisobutyl phosphate - ≥98% , CAS No.126-71-6

CAS: 126-71-6 Cat. No.: T302316 Fórmula: C₁₂H₂₇O₄P Peso molecular: 266.31 Número EC: 204-798-3 PubChem CID: 31355

GRADE & PURITY ≥98%

Synonyms

Isobutyl phosphate | CHEBI:189140 | AKOS015841700 | C12H27O4P | Tox21_301244 | TRIISOBUTYL PHOSPHATE | tri-isobutyl phosphate | Tri-isobutylphosphate | EINECS 204-798-3 | MFCD00039849 | EC 204-798-3 | BRN 1710574 | NCIOpen2_002692 | Isobutyl phosphate, (C

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

Isobutyl phosphate | CHEBI:189140 | AKOS015841700 | C12H27O4P | Tox21_301244 | TRIISOBUTYL PHOSPHATE | tri-isobutyl phosphate | Tri-isobutylphosphate | EINECS 204-798-3 | MFCD00039849 | EC 204-798-3 | BRN 1710574 | NCIOpen2_002692 | Isobutyl phosphate, (C

Especificaciones y pureza

≥98%

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

≥98%

Nombres e identificadores

Pubchem Sid

508815674

Sonrisas canónicas

CC(C)COP(=O)(OCC(C)C)OCC(C)C

IUPAC Name

tris(2-methylpropyl) phosphate

InChIKey

HRKAMJBPFPHCSD-UHFFFAOYSA-N

INCHI

1S/C12H27O4P/c1-10(2)7-14-17(13,15-8-11(3)4)16-9-12(5)6/h10-12H,7-9H2,1-6H3

Isómeros SMILES

CC(C)COP(=O)(OCC(C)C)OCC(C)C

PubChem CID

31355

Peso molecular

266.31

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 Trialkyl 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: Trialkyl phosphates
• Alternative Parents: Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkyl phosphate - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as trialkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly three alkyl chains.
• 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

Objetivos asociados (humanos)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 266.310 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 266.165 Da
• Monoisotopic Mass: 266.165 Da
• Topological Polar Surface Area: 44.800 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 201.000
• 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