IUPAC Name: 1-[ethoxy(pentyl)phosphoryl]oxy-4-nitrobenzene
Empirical Formula: C13H20NO5P
Molecular Weight: 301.2754g/mol
Index of Refraction: 1.507
Molar Refractivity: 75.89 cm3
Molar Volume: 254.8 cm3
Polarizability: 30.08×10-24cm3
Surface Tension: 42.3 dyne/cm
Density: 1.182 g/cm3
Flash Point: 200.6 °C
Enthalpy of Vaporization: 63.44 kJ/mol
Boiling Point: 408.1 °C at 760 mmHg
Vapour Pressure: 1.69E-06 mmHg at 25°C
Canonical SMILES: CCCCCP(=O)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI: InChI=1S/C13H20NO5P/c1-3-5-6-11-20(17,18-4-2)19-13-9-7-12(8-10-13)14(15)16/h7-10H,3-6,11H2,1-2H3
InChIKey: WVEDKNWZBPHSRJ-UHFFFAOYSA-N
Structure of Ethyl p-nitrophenyl pentylphosphonate (CAS NO.3015-75-6):
1. | ivn-rbt LD50:118 µg/kg | BCPCA6 Biochemical Pharmacology. 13 (1964),1229. | ||
2. | ivn-gpg LD50:299 µg/kg | BCPCA6 Biochemical Pharmacology. 13 (1964),1229. |
Poison by intravenous route. When heated to decomposition it emits very toxic fumes of POx and NOx.
Ethyl p-nitrophenyl pentylphosphonate , its cas register number is 3015-75-6. It also can be called 4-06-00-01322 (Beilstein Handbook Reference) ; BRN 3413728 ; p-Nitrophenyl ethyl pentylphosphonate .When Ethyl p-nitrophenyl pentylphosphonate (CAS NO.3015-75-6) is heated to decomposition, it emits very toxic fumes of POx and NOx.
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