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

CAS: 126-73-8 Cat. No.: T100708 分子式: C₁₂H₂₇O₄P 分子量: 266.32 Beilstein Registry Number: 1710584 EC番号: 204-800-2 PubChem CID: 31357

GRADE & PURITY 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

Specifications

同義語

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

仕様と純度

CP, ≥97%

保管条件

Room temperature

入荷

Normal

等級

CP

純度

≥97%

名前と識別子

パブケム・シド

508815669

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

CCCCOP(=O)(OCCCC)OCCCC

WGKドイツ

2

RTECS

TC7700000

PubChem CID

31357

分子量

266.32

Beilstein

1710584

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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

作用メカニズム

化学的性質と物理的性質

• 感度: Moisture sensitive.
• 屈折率: 1.425
• 引火点（°F）: 293 °F
• 引火点（°C）: 146℃
• 沸点（°C）: 180-183°C
• 融点（°C）: -79°C
• 分子量: 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