Product Name

  • Name

    diethyl methyl(phenyl)amidophosphate

  • EINECS
  • CAS No. 52670-78-7
  • Article Data8
  • CAS DataBase
  • Density 1.137g/cm3
  • Solubility
  • Melting Point
  • Formula C11H18NO3P
  • Boiling Point 297.4°Cat760mmHg
  • Molecular Weight 243.243
  • Flash Point 133.6°C
  • Transport Information
  • Appearance
  • 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.
  • Risk Codes
  • Molecular Structure Molecular Structure of 52670-78-7 (diethyl methyl(phenyl)amidophosphate)
  • Hazard Symbols
  • Synonyms
  • PSA
  • LogP

Methylphenylphosphoramidic acid diethyl ester Chemical Properties

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

Methylphenylphosphoramidic acid diethyl ester Toxicity Data With Reference

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.

Methylphenylphosphoramidic acid diethyl ester Safety Profile

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 Specification

 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 .

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