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| CAS No.: | 3015-74-5 |
|---|---|
| Name: | Butylphosphonic acid ethyl p-nitrophenyl ester |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C12H18 N O5 P |
| Molecular Weight: | 287.28 |
| Synonyms: | Phosphonicacid, butyl-, ethyl p-nitrophenyl ester (6CI,7CI,8CI); Ethyl p-nitrophenylbutylphosphonate; p-Nitrophenyl ethyl butylphosphonate |
| Density: | 1.205g/cm3 |
| Boiling Point: | 395.1°C at 760 mmHg |
| Flash Point: | 192.7°C |
| Safety: | A deadly poison by intravenous and subcutaneous routes. When heated to decomposition it emits very toxic fumes of POx and NOx. |
| PSA: | 91.16000 |
| LogP: | 4.52650 |
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Chemistry
IUPAC Name: 1-[butyl(ethoxy)phosphoryl]oxy-4-nitrobenzene
Empirical Formula: C12H18NO5P
Molecular Weight: 287.2488
Index of Refraction: 1.509
Molar Refractivity: 71.26 cm3
Molar Volume: 238.3 cm3
Polarizability: 28.24×10-24cm3
Surface Tension: 42.9 dyne/cm
Density: 1.205 g/cm3
Flash Point: 192.7 °C
Enthalpy of Vaporization: 62 kJ/mol
Boiling Point: 395.1 °C at 760 mmHg
Vapour Pressure: 4.3E-06 mmHg at 25°C
Canonical SMILES: CCCCP(=O)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI: InChI=1S/C12H18NO5P/c1-3-5-10-19(16,17-4-2)18-12-8-6-11(7-9-12)13(14)15/h6-9H,3-5,10H2,1-2H3
InChIKey: MEVAOLBLFMAOEV-UHFFFAOYSA-N
Structure of p-Nitrophenyl ethyl butylphosphonate (CAS NO.3015-74-5):
Toxicity Data With Reference
| 1. | scu-mus LD50:1200 µg/kg | RPTOAN Russian Pharmacology and Toxicology. Translation of FATOAO. 42 (1979),106. | ||
| 2. | ivn-mus LD50:1000 µg/kg | RPTOAN Russian Pharmacology and Toxicology. Translation of FATOAO. 42 (1979),106. | ||
| 3. | ivn-rbt LD50:72 µg/kg | BCPCA6 Biochemical Pharmacology. 13 (1964),1229. | ||
| 4. | scu-rat LD50:1200 µg/kg | FATOAO Farmakologiya i Toksikologiya (Moscow). 42 (3)(1979),299. | ||
| 5. | ivn-rat LD50:1 mg/kg | FATOAO Farmakologiya i Toksikologiya (Moscow). 42 (3)(1979),299. |
Safety Profile
A deadly poison by intravenous and subcutaneous routes. When heated to decomposition it emits very toxic fumes of POx and NOx.
Specification
p-Nitrophenyl ethyl butylphosphonate , its cas register number is 3015-74-5. It also can be called 4-06-00-01321 (Beilstein Handbook Reference) ; BRN 3401399 ; Phosphonic acid, butyl-, ethyl p-nitrophenyl ester . When heated to decomposition it emits very toxic fumes of POx and NOx. Wear suitable protective clothing, gloves and eye/face protection when contact with p-Nitrophenyl ethyl butylphosphonate (CAS NO.3015-74-5).