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| CAS No.: | 1121-14-8 |
|---|---|
| Name: | 3-NITROISOXAZOLINE |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C3H4N2O3 |
| Molecular Weight: | 116.08 |
| Synonyms: | NSC359453;2-Isoxazoline,3-nitro- (7CI,8CI);3-Nitro-4,5-dihydroisoxazole;3-Nitroisoxazoline;4,5-Dihydro-3-nitroisoxazole; |
| Density: | 1.69 g/cm3 |
| Boiling Point: | 206 °C at 760 mmHg |
| Flash Point: | 78.4 °C |
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- Total:16 Page 1 of 1 1
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Specification
The CAS registry number of Isoxazole,4,5-dihydro-3-nitro- is 1121-14-8. The IUPAC name is 3-nitro-4,5-dihydro-1,2-oxazole. In addition, the molecular formula is C3H4N2O3 and the molecular weight is 116.08. And it is also called 4,5-Dihydro-3-nitroisoxazole. What's more, it should be stored in a cool and dry place.
Physical properties about Isoxazole,4,5-dihydro-3-nitro- are: (1)ACD/LogP: -0.69 ; (2)ACD/LogD (pH 5.5): -0.69; (3)ACD/LogD (pH 7.4): -0.69; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 10.02; (7)ACD/KOC (pH 7.4): 10.02; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 67.41 Å2; (11)Index of Refraction: 1.615; (12)Molar Refractivity: 23.91 cm3; (13)Molar Volume: 68.5 cm3; (14)Polarizability: 9.48 ×10-24cm3; (15)Surface Tension: 72.1 dyne/cm; (16)Density: 1.69 g/cm3; (17)Flash Point: 78.4 °C; (18)Enthalpy of Vaporization: 42.42 kJ/mol; (19)Boiling Point: 206 °C at 760 mmHg; (20)Vapour Pressure: 0.347 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)\C1=N\OCC1
(2)InChI: InChI=1/C3H4N2O3/c6-5(7)3-1-2-8-4-3/h1-2H2
(3)InChIKey: FXCSVYLFCWALFV-UHFFFAOYAD