Isoxazole,4,5-dihydro-3-nitro- supplier

Name
3-NITROISOXAZOLINE
EINECS
CAS No. 1121-14-8
Article Data7
CAS DataBase
Density 1.69 g/cm³
Solubility
Melting Point
Formula C₃H₄N₂O₃
Boiling Point 206 °C at 760 mmHg
Molecular Weight 116.08
Flash Point 78.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms NSC359453;2-Isoxazoline,3-nitro- (7CI,8CI);3-Nitro-4,5-dihydroisoxazole;3-Nitroisoxazoline;4,5-Dihydro-3-nitroisoxazole;
PSA
LogP

Isoxazole,4,5-dihydro-3-nitro- 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

Product Name

3-NITROISOXAZOLINE

Isoxazole,4,5-dihydro-3-nitro- Specification

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