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| CAS No.: | 546-71-4 |
|---|---|
| Name: | Armin |
| Article Data: | 4 |
| Molecular Structure: | |
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|
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| Formula: | C10H14 N O5 P |
| Molecular Weight: | 259.199 |
| 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; |
| Density: | 1.262g/cm3 |
| Boiling Point: | 368.9°Cat760mmHg |
| Flash Point: | 176.9°C |
| Safety: | Poison by subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of NOx and POx. See also ESTERS. |
| PSA: | 91.16000 |
| LogP: | 3.74630 |
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Chemistry
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):
.bmp)
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. |
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.
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 .