Isoxazole,3-nitro- supplier | CasNO.39485-31-9

Name
3-nitroisoxazole
EINECS
CAS No. 39485-31-9
Density 1.476 g/cm³
Solubility
Melting Point
Formula C₃H₂N₂O₃
Boiling Point 243.489 °C at 760 mmHg
Molecular Weight 114.06
Flash Point 101.059 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Nitro-isoxazole;3-Nitro-1,2-oxazole;
PSA 71.85000
LogP 1.10600

Isoxazole,3-nitro- Specification

The CAS registry number of Isoxazole,3-nitro- is 39485-31-9. The systematic name is 3-nitro-1,2-oxazole. In addition, the molecular formula is C₃H₂N₂O₃ and the molecular weight is 114.06. Moreover, it should be stored in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: -0.04; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 19; (5)ACD/KOC (pH 7.4): 19; (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: 1.512; (11)Molar Refractivity: 23.189 cm³; (12)Molar Volume: 77.293 cm³; (13)Polarizability: 9.193 ×10^-24cm³; (14)Surface Tension: 55.413 dyne/cm; (15)Density: 1.476 g/cm³; (16)Flash Point: 101.059 °C; (17)Enthalpy of Vaporization: 46.104 kJ/mol; (18)Boiling Point: 243.489 °C at 760 mmHg; (19)Vapour Pressure: 0.05 mmHg at 25°C.

Preparation of Isoxazole,3-nitro-: it can be prepared by ethyne and tetranitroethene. This reaction will need solvent CH₂Cl₂. The yield is about 37%.

Isoxazole,3-nitro- can be prepared by ethyne and Tetranitroethene

You can still convert the following datas into molecular structure:
(1)SMILES: O=N(=O)c1ccon1
(2)InChI: InChI=1/C3H2N2O3/c6-5(7)3-1-2-8-4-3/h1-2H
(3)InChIKey: AOIHSSHDSKUPRK-UHFFFAOYAQ

Product Name

3-nitroisoxazole

Isoxazole,3-nitro- Specification

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