3-Isoxazolecarbonitrile,5-methyl- supplier

Name
5-Methyl-3-isoxazolecarbonitrile
EINECS
CAS No. 57351-99-2
Article Data7
CAS DataBase
Density 1.18g/cm³
Solubility
Melting Point
Formula C₅H₄N₂O
Boiling Point 249.4 °C at 760 mmHg
Molecular Weight 108.09806
Flash Point 104.6 °C
Transport Information
Appearance
Safety 23-26-36/37/39
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols
Synonyms 3-Cyano-5-methylisoxazole;
PSA 49.82000
LogP 0.85468

3-Isoxazolecarbonitrile,5-methyl- Specification

The 3-Isoxazolecarbonitrile,5-methyl-, with CAS registry number 57351-99-2, has the systematic name of 5-methylisoxazole-3-carbonitrile. Besides this, it is also called 5-Methyl-3-isoxazolecarbonitrile. Its molecular weight is 108.09806. And the chemical formula of this chemical is C₅H₄N₂O.

Physical properties of 3-Isoxazolecarbonitrile,5-methyl-: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 3; (3)#H bond donors: 0; (4)#Freely Rotating Bonds: 0; (5)Polar Surface Area: 49.82 Å²; (6)Index of Refraction: 1.488; (7)Molar Refractivity: 26.22 cm³; (8)Molar Volume: 91 cm³; (9)Polarizability: 10.39×10^-24cm³; (10)Surface Tension: 50 dyne/cm; (11)Density: 1.18 g/cm³; (12)Flash Point: 104.6 °C; (13)Enthalpy of Vaporization: 48.66 kJ/mol; (14)Boiling Point: 249.4 °C at 760 mmHg; (15)Vapour Pressure: 0.023 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(no1)C#N
(2)InChI: InChI=1/C5H4N2O/c1-4-2-5(3-6)7-8-4/h2H,1H3
(3)InChIKey: JTPIMYCMWLOEDD-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C5H4N2O/c1-4-2-5(3-6)7-8-4/h2H,1H3
(5)Std. InChIKey: JTPIMYCMWLOEDD-UHFFFAOYSA-N

Product Name

5-Methyl-3-isoxazolecarbonitrile

3-Isoxazolecarbonitrile,5-methyl- Specification

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