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Cas Database |
| Name |
tert-Butyl diethylphosphonoacetate |
EINECS | -0 |
| CAS No. | 27784-76-5 | Density | 1.077 g/cmH3 |
| PSA | 71.64000 | LogP | 2.59420 |
| Solubility | Not miscible or difficult to mix in water. | Melting Point |
100-103 °C1.5 mm Hg(lit.) |
| Formula | C10H21O5P | Boiling Point | 274.7 °C at 760 mmHg |
| Molecular Weight | 252.247 | Flash Point | 155.1 °C |
| Transport Information | N/A | Appearance | Colorless transparent liquid |
| Safety | 26-36 | Risk Codes | 36/38 |
| Molecular Structure |
|
Hazard Symbols | R36/38:Irritating to eyes and skin.; |
| Synonyms |
Diethylphosphonoacetic Acid tert-Butyl Ester;Diethyl (tert-Butoxycarbonylmethyl)phosphonate; |
Article Data | 21 |
tert-Butyl diethylphosphonoacetate Chemical Properties
Product Name: tert-Butyl diethylphosphonoacetate (CAS NO.27784-76-5)
Molecular Formula: C10H21O5P
Molecular Weight: 252.24g/mol
Mol File: 27784-76-5.mol
Boiling point: 274.7 °C at 760 mmHg
Flash Point: 155.1 °C
Density: 1.077 g/cm3
Refractive index: n20/D 1.431(lit.)
Surface Tension: 33 dyne/cm
Enthalpy of Vaporization: 51.31 kJ/mol
Vapour Pressure: 0.00532 mmHg at 25°C
XLogP3-AA: 1.1
H-Bond Donor: 0
H-Bond Acceptor: 5
Structure Descriptors of tert-Butyl diethylphosphonoacetate (CAS NO.27784-76-5):
IUPAC Name: tert-butyl 2-diethoxyphosphorylacetate
Canonical SMILES: CCOP(=O)(CC(=O)OC(C)(C)C)OCC
InChI: InChI=1S/C10H21O5P/c1-6-13-16(12,14-7-2)8-9(11)15-10(3,4)5/h6-8H2,1-5H3
InChIKey: NFEGNISFSSLEGU-UHFFFAOYSA-N
Product Categories: C-C Bond Formation; Horner-Wadsworth-Emmons Reagents; Olefination
tert-Butyl diethylphosphonoacetate Safety Profile
Safety Information of tert-Butyl diethylphosphonoacetate (CAS NO.27784-76-5):
Risk Statements: 36/38
36: Irritating to the eyes
38: Irritating to the skin
Safety Statements: 26-36
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
WGK Germany: 3
tert-Butyl diethylphosphonoacetate Specification
tert-Butyl diethylphosphonoacetate , its CAS NO. is 27784-76-5, the synonyms are Diethylphosphonoacetic Acid tert-Butyl Ester ; Diethyl (tert-Butoxycarbonylmethyl)phosphonate .
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