Tri-n-butyl phosphate(TBP) - CP, ≥97% , CAS No.126-73-8

CAS: 126-73-8 Cat. No.: T100708 Fórmula: C₁₂H₂₇O₄P Peso molecular: 266.32 Beilstein Registry Number: 1710584 Número CE: 204-800-2 PubChem CID: 31357

GRAU & PUREZA CP, ≥97%

Synonyms

CAS-126-73-8 | TRIBUTYL PHOSPHATE | Tributyl Phosphate 1000 microg/mL in Methanol | FT-0657452 | 95UAS8YAF5 | Tributoxyphosphine oxide | J-005429 | Tributyl phosphate, Pharmaceutical Secondary Standard; Certified Reference Material | DTXCID701986 | TRIBUT

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

CAS-126-73-8 | TRIBUTYL PHOSPHATE | Tributyl Phosphate 1000 microg/mL in Methanol | FT-0657452 | 95UAS8YAF5 | Tributoxyphosphine oxide | J-005429 | Tributyl phosphate, Pharmaceutical Secondary Standard; Certified Reference Material | DTXCID701986 | TRIBUT

Especificações e pureza

CP, ≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Grau

CP

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

508815669

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508815669

Sorrisos canónicos

CCCCOP(=O)(OCCCC)OCCCC

IUPAC Name

tributyl phosphate

InChIKey

STCOOQWBFONSKY-UHFFFAOYSA-N

INCHI

1S/C12H27O4P/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3

SMILES isoméricas

CCCCOP(=O)(OCCCC)OCCCC

WGK Alemanha

2

RTECS

TC7700000

PubChem CID

31357

Peso molecular

266.32

Beilstein

1710584

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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
• Descrição: 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: trialkyl phosphate

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

Alvos associados (humanos)

NFKB1 Tclin Nuclear factor NF-kappa-B p105 subunit (1459 Activities)

Discover Target: NFKB1

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Moisture sensitive.
• Índice de refração: 1.425
• Ponto de inflamação (°F): 293 °F
• Ponto de inflamação (°C): 146℃
• Ponto de ebulição (°C): 180-183°C
• Ponto de fusão (°C): -79°C
• Peso molecular: 266.310 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• 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: 175.000
• 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