Tributylphosphine oxide - ≥95% , CAS No.814-29-9

CAS: 814-29-9 Cat. No.: T100648 Formula: C₁₂H₂₇OP Molecular Weight: 218.32 EC Number: 212-394-3 PubChem CID: 13138

GRADE & PURITY ≥95%

Synonyms

W58CDF8S4H | Tributylphosphine oxide, 95% | WLN: OP4&4&4 | FT-0675423 | OSELTAMIVIR PHOSPHATE IMPURITY H [EP IMPURITY] | Q27292323 | 1-(dibutylphosphoryl)butane | DTXSID2061149 | EINECS 212-394-3 | tris(1-butyl)phosphine oxide | NSC 41935 | Tri-n-butylpho

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Application

Tri-n-butylphosphine oxide is used as a catalyst and organic synthesis intermediate. It is also used as a solvent.

Specifications

Synonyms

W58CDF8S4H | Tributylphosphine oxide, 95% | WLN: OP4&4&4 | FT-0675423 | OSELTAMIVIR PHOSPHATE IMPURITY H [EP IMPURITY] | Q27292323 | 1-(dibutylphosphoryl)butane | DTXSID2061149 | EINECS 212-394-3 | tris(1-butyl)phosphine oxide | NSC 41935 | Tri-n-butylpho

Specifications & Purity

≥95%

Storage

Argon charged,Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

Pubchem Sid

504752425

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752425

Canonical Smiles

CCCCP(=O)(CCCC)CCCC

IUPAC Name

1-dibutylphosphorylbutane

InChIKey

MNZAKDODWSQONA-UHFFFAOYSA-N

INCHI

1S/C12H27OP/c1-4-7-10-14(13,11-8-5-2)12-9-6-3/h4-12H2,1-3H3

Isomeric SMILES

CCCCP(=O)(CCCC)CCCC

WGK Germany

3

RTECS

SZ1575000

PubChem CID

13138

UN Number

1759

Molecular Weight

218.32

Reaxy-Rn

1761977

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organophosphorus compounds
    • Class Organic phosphines and derivatives
      • Subclass Organophosphine oxides

• Kingdom: Organic compounds
• Superclass: Organophosphorus compounds
• Class: Organic phosphines and derivatives
• Subclass: Organophosphine oxides
• Intermediate Tree Nodes: Not available
• Direct Parent: Organophosphine oxides
• Alternative Parents: Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organophosphine oxide - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organophosphine oxides. These are organic compounds containing the phosphine oxide group, with the general formula R3P=O or R3P+O-.
• 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

Chemical and Physical Properties

• Solubility: Soluble in water (56 g/L at 20°C). Soluble in methanol
• Sensitivity: Hygroscopic.air sensitive
• Boil Point(°C): 150°C
• Melt Point(°C): 64-69°C
• Molecular Weight: 218.320 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 218.18 Da
• Monoisotopic Mass: 218.18 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 137.000
• 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

Frequently Asked Questions

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 814-29-9, the molecular formula is C12H27OP, and the molecular weight is 218.32 g/mol. InChIKey MNZAKDODWSQONA-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.