Isoxazole, 4-nitro- supplier

Name
Isoxazole, 4-nitro-
EINECS
CAS No. 1121-13-7
Article Data11
CAS DataBase
Density 1.475 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Nitroisoxazole;4-Nitroisoxazole;4-Nitro-1,2-oxazole;
PSA 71.85000
LogP 1.10600

Isoxazole, 4-nitro- Specification

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

Product Name

Isoxazole, 4-nitro-

Isoxazole, 4-nitro- Specification

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