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CAS No.: | 52670-78-7 |
---|---|
Name: | diethyl methyl(phenyl)amidophosphate |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C11H18NO3P |
Molecular Weight: | 243.243 |
Density: | 1.137g/cm3 |
Boiling Point: | 297.4°Cat760mmHg |
Flash Point: | 133.6°C |
Safety: | Poison by ingestion and ocular routes. Moderately toxic by skin contact. Mildly toxic by inhalation. When heated to decomposition it emits toxic fumes of NOx and POx. See also ESTERS. |
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Molecule structure of Methylphenylphosphoramidic acid diethyl ester (CAS NO.52670-78-7):
IUPAC Name: N-Diethoxyphosphoryl-N-methylaniline
Molecular Weight: 243.239281 g/mol
Molecular Formula: C11H18NO3P
Density: 1.137 g/cm3
Boiling Point: 297.4 °C at 760 mmHg
Flash Point: 133.6 °C
Index of Refraction: 1.518
Molar Refractivity: 64.82 cm3
Molar Volume: 213.8 cm3
Polarizability: 25.7×10-24 cm3
Surface Tension: 40.7 dyne/cm
Enthalpy of Vaporization: 53.72 kJ/mol
Vapour Pressure: 0.00136 mmHg at 25 °C
XLogP3-AA: 2.2
H-Bond Acceptor: 4
Rotatable Bond Count: 6
Exact Mass: 243.10243
MonoIsotopic Mass: 243.10243
Topological Polar Surface Area: 38.8
Heavy Atom Count: 16
Complexity: 231
Canonical SMILES: CCOP(=O)(N(C)C1=CC=CC=C1)OCC
InChI: InChI=1S/C11H18NO3P/c1-4-14-16(13,15-5-2)12(3)11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3
InChIKey of Methylphenylphosphoramidic acid diethyl ester (CAS NO.52670-78-7): BWXYXRLYYLXUNV-UHFFFAOYSA-N
1. | orl-rat LD50: 41 mg/kg | JACTDZ Journal of the American College of Toxicology. 3 (2)(1984),162. | ||
2. | ihl-rat LCLo: 11,600 mg/m3/15M | JACTDZ Journal of the American College of Toxicology. 3 (2)(1984),162. | ||
3. | skn-rbt LD50: 840 mg/kg | JACTDZ Journal of the American College of Toxicology. 3 (2)(1984),162. | ||
4. | ocu-rbt LDLo: 50 mg/kg | JACTDZ Journal of the American College of Toxicology. 3 (2)(1984),162. |
Poison by ingestion and ocular routes. Moderately toxic by skin contact. Mildly toxic by inhalation. When heated to decomposition it emits toxic fumes of NOx and POx. See also ESTERS.
Methylphenylphosphoramidic acid diethyl ester (CAS NO.52670-78-7) is also named as 4-12-00-01091 (Beilstein Handbook Reference) ; BRN 2808289 ; Phosphoramidic acid, methylphenyl-, diethyl ester .