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Ethyl-4-nitrophenyl ethylphosphonate

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Name

Ethyl-4-nitrophenyl ethylphosphonate

EINECS N/A
CAS No. 546-71-4 Density 1.262g/cm3
PSA 91.16000 LogP 3.74630
Solubility N/A Melting Point N/A
Formula C10H14 N O5 P Boiling Point 368.9°Cat760mmHg
Molecular Weight 259.199 Flash Point 176.9°C
Transport Information N/A Appearance N/A
Safety Poison by subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of NOx and POx. See also ESTERS. Risk Codes N/A
Molecular Structure Molecular Structure of 546-71-4 (Armin) Hazard Symbols N/A
Synonyms

Phosphonicacid, ethyl-, ethyl 4-nitrophenyl ester (9CI);Phosphonic acid, ethyl-, ethylp-nitrophenyl ester (6CI,8CI);Armeen;Armin;Armin (ester);Armine;Ethyl4-nitrophenyl ethylphosphonate;Ethyl p-nitrophenyl ethylphosphonate;O-p-Nitrophenyl O-ethyl ethylphosphonate;

Article Data 4

Ethyl-4-nitrophenyl ethylphosphonate Chemical Properties

IUPAC Name: 1-[ethoxy(ethyl)phosphoryl]oxy-4-nitrobenzene 
Empirical Formula: C10H14NO5P
Molecular Weight: 259.1956g/mol 
Index of Refraction: 1.515
Molar Refractivity: 61.99 cm3
Molar Volume: 205.3 cm3
Polarizability: 24.57×10-24cm3
Surface Tension: 44.5 dyne/cm
Density: 1.262 g/cm3
Flash Point: 176.9 °C
Enthalpy of Vaporization: 59.15 kJ/mol
Boiling Point: 368.9 °C at 760 mmHg
Vapour Pressure: 2.61E-05 mmHg at 25°C
Canonical SMILES: CCOP(=O)(CC)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI: InChI=1S/C10H14NO5P/c1-3-15-17(14,4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
InChIKey: XXUJMEYKYHETBZ-UHFFFAOYSA-N
Structure of Ethyl-4-nitrophenyl ethylphosphonate (CAS NO.546-71-4):

Ethyl-4-nitrophenyl ethylphosphonate Toxicity Data With Reference

1.    

scu-rat LD50:330 µg/kg

    FATOAO    Farmakologiya i Toksikologiya (Moscow). 42 (3)(1979),299.
2.    

ivn-rat LD50:250 µg/kg

    FATOAO    Farmakologiya i Toksikologiya (Moscow). 42 (3)(1979),299.
3.    

ipr-mus LD50:1862 µg/kg

    PHARAT    Pharmazie. 35 (1980),806.
4.    

scu-mus LD50:330 µg/kg

    RPTOAN    Russian Pharmacology and Toxicology. Translation of FATOAO. 42 (1979),106.
5.    

ivn-mus LD50:250 µg/kg

    RPTOAN    Russian Pharmacology and Toxicology. Translation of FATOAO. 42 (1979),106.

Ethyl-4-nitrophenyl ethylphosphonate Safety Profile

Poison by subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of NOx and POx. See also ESTERS.

Ethyl-4-nitrophenyl ethylphosphonate Specification

  Ethyl-4-nitrophenyl ethylphosphonate , its cas register number is 546-71-4. It also can be called 4-06-00-01319 (Beilstein Handbook Reference) ; Armin (ester) ; Armine ; Arminum ; BRN 1990082 ; Ethoxy-4-nitrophenyloxyethyl-phosphineoxide ;
 Ethylphosphonic acid ethyl p-nitrophenyl ester ; p-Nitrophenyl-O-ethyl ethylphosphonate .

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