Dibutyl Phosphite（DBHP） - ≥90% , CAS No.1809-19-4

CAS: 1809-19-4 Cat. No.: D670271 Molecular Weight: 194.21 Beilstein Registry Number: 1099710 EC Number: 217-316-1

GRADE & PURITY ≥90%

Synonyms

Dibutyl Phosphonate | Phosphonic Acid Dibutyl Ester | Phosphorous Acid Dibutyl Ester

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Synonyms

Dibutyl Phosphonate | Phosphonic Acid Dibutyl Ester | Phosphorous Acid Dibutyl Ester

Specifications & Purity

≥90%

Storage

Room temperature, Argon charged

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥90%

Names and Identifiers

• Canonical Smiles: CCCCO[P+](=O)OCCCC
• IUPAC Name: dibutoxy(oxo)phosphanium
• InChIKey: OSPSWZSRKYCQPF-UHFFFAOYSA-N
• INCHI: 1S/C8H18O3P/c1-3-5-7-10-12(9)11-8-6-4-2/h3-8H2,1-2H3/q+1
• Isomeric SMILES: CCCCO[P+](=O)OCCCC
• WGK Germany: 3
• RTECS: HS6475000
• Molecular Weight: 194.21
• Beilstein: 1099710
• Reaxy-Rn: 6386959
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6386959&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organooxygen compounds
• Alternative Parents: Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organooxygen compounds. These are organic compounds containing a bond between a carbon atom and an oxygen atom.
• 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

Associated Targets(Human)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture Sensitive
• Refractive Index: 1.42
• Flash Point(°F): 244.4 °F
• Flash Point(°C): 118 °C
• Boil Point(°C): 121 °C/14 mmHg
• Melt Point(°C): 70.5 °C
• Molecular Weight: 193.200 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 193.099 Da
• Monoisotopic Mass: 193.099 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 1
• Complexity: 105.000
• 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

References

1. Guo Zong, Chu Taiwei.  (2022)  Selective separation of uranium, zirconium and iodine from various fission products by 1-butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide and phosphoramide-functionalized ionic liquid.  JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY,  331  (9): (3905-3913).  [PMID:] [10.1007/s10967-022-08396-w]