-
Name
Butylphosphonic acid ethyl p-nitrophenyl ester
- EINECS
- CAS No. 3015-74-5
- Article Data3
- CAS DataBase
- Density 1.205g/cm3
- Solubility
- Melting Point
- Formula C12H18 N O5 P
- Boiling Point 395.1°C at 760 mmHg
- Molecular Weight 287.28
- Flash Point 192.7°C
- Transport Information
- Appearance
- Safety A deadly poison by intravenous and subcutaneous routes. When heated to decomposition it emits very toxic fumes of POx and NOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Phosphonicacid, butyl-, ethyl p-nitrophenyl ester (6CI,7CI,8CI); Ethyl p-nitrophenylbutylphosphonate; p-Nitrophenyl ethyl butylphosphonate
- PSA 91.16000
- LogP 4.52650
p-Nitrophenyl ethyl butylphosphonate Chemical Properties
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):
p-Nitrophenyl ethyl butylphosphonate 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. |
p-Nitrophenyl ethyl butylphosphonate Safety Profile
A deadly poison by intravenous and subcutaneous routes. When heated to decomposition it emits very toxic fumes of POx and NOx.
p-Nitrophenyl ethyl butylphosphonate 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).
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