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| Name |
Monoethyl butylphosphonate anhydride with diethyl phosphate |
EINECS | N/A |
| CAS No. | 63886-51-1 | Density | 1.13g/cm3 |
| PSA | 90.68000 | LogP | 4.21380 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C10H24 O6 P2 | Boiling Point | 326.5°Cat760mmHg |
| Molecular Weight | 302.28 | Flash Point | 165°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of POx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | A poison. |
| Synonyms |
NSC 74547 |
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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