Product Name

  • Name

    Butyl(ethoxy)phosphinic acid diethoxyphosphinic anhydride

  • EINECS
  • CAS No. 63886-51-1
  • Density 1.13g/cm3
  • Solubility
  • Melting Point
  • Formula C10H24 O6 P2
  • Boiling Point 326.5°Cat760mmHg
  • Molecular Weight 302.28
  • Flash Point 165°C
  • Transport Information
  • Appearance
  • Safety A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of POx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 63886-51-1 (Butyl(ethoxy)phosphinic acid diethoxyphosphinic anhydride)
  • Hazard Symbols A poison.
  • Synonyms NSC 74547
  • PSA 90.68000
  • LogP 4.21380

Monoethyl butylphosphonate anhydride with diethyl phosphate Chemical Properties

Molecule structure of Monoethyl butylphosphonate anhydride with diethyl phosphate (CAS NO.63886-51-1):

IUPAC Name: [Butyl(ethoxy)phosphoryl] diethyl phosphate 
Molecular Weight: 302.241482 g/mol
Molecular Formula: C10H24O6P2 
Density: 1.13 g/cm3 
Boiling Point: 326.5 °C at 760 mmHg 
Flash Point: 165 °C
Index of Refraction: 1.43
Molar Refractivity: 69.1 cm3
Molar Volume: 267.3 cm3
Polarizability: 27.39×10-24 cm3
Surface Tension: 35.5 dyne/cm 
Enthalpy of Vaporization: 54.61 kJ/mol
Vapour Pressure: 0.000409 mmHg at 25 °C
XLogP3-AA: 1.3
H-Bond Acceptor: 6
Rotatable Bond Count: 11
Exact Mass: 302.104812
MonoIsotopic Mass: 302.104812
Topological Polar Surface Area: 71.1
Heavy Atom Count: 18
Complexity: 297
Canonical SMILES: CCCCP(=O)(OCC)OP(=O)(OCC)OCC
InChI: InChI=1S/C10H24O6P2/c1-5-9-10-17(11,13-6-2)16-18(12,14-7-3)15-8-4/h5-10H2,1-4H3
InChIKey of Monoethyl butylphosphonate anhydride with diethyl phosphate (CAS NO.63886-51-1): IMAZMHCGEUDCNH-UHFFFAOYSA-N

Monoethyl butylphosphonate anhydride with diethyl phosphate Toxicity Data With Reference

1.    

ipr-mus LDLo:31,300 µg/kg

     CBCCT*    “Summary Tables of Biological Tests” National Research Council Chemical-Biological Coordination Center. 9 (1957),131.

Monoethyl butylphosphonate anhydride with diethyl phosphate Safety Profile

A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of POx.

Monoethyl butylphosphonate anhydride with diethyl phosphate Specification

 Monoethyl butylphosphonate anhydride with diethyl phosphate (CAS NO.63886-51-1) is also named a Phosphonic acid, butyl-, monoethyl ester, anhydride with diethyl phosphate .

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