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Name |
Isoxazole, 4-nitro- |
EINECS | N/A |
CAS No. | 1121-13-7 | Density | 1.475 g/cm3 |
PSA | 71.85000 | LogP | 1.10600 |
Solubility | N/A | Melting Point |
46-47 °C |
Formula | C3H2N2O3 | Boiling Point | 243.5 °C at 760 mmHg |
Molecular Weight | 114.06 | Flash Point | 101.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Nitroisoxazole;4-Nitroisoxazole;4-Nitro-1,2-oxazole; |
Article Data | 11 |
The Isoxazole, 4-nitro-, with the CAS registry number 1121-13-7, has the systematic name of 4-nitro-1,2-oxazole. It is also called 4-Nitroisoxazole. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of this chemical is C3H2N2O3.
The physical properties of Isoxazole, 4-nitro- are as followings: (1)# of Rule of 5 Violations: 0 ; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 18.78; (5)ACD/KOC (pH 7.4): 18.78; (6)#H bond acceptors: 5; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 71.85 Å2; (10)Index of Refraction: 1.511; (11)Molar Refractivity: 23.18 cm3; (12)Molar Volume: 77.2 cm3; (13)Polarizability: 9.19×10-24cm3; (14)Surface Tension: 55.4 dyne/cm; (15)Density: 1.475 g/cm3; (16)Flash Point: 101.1 °C; (17)Enthalpy of Vaporization: 46.1 kJ/mol; (18)Boiling Point: 243.5 °C at 760 mmHg; (19)Vapour Pressure: 0.0499 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1conc1
(2)InChI: InChI=1/C3H2N2O3/c6-5(7)3-1-4-8-2-3/h1-2H
(3)InChIKey: LLLMLGQOFWRRTH-UHFFFAOYAS