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CAS No.: | 57351-99-2 |
---|---|
Name: | 5-Methyl-3-isoxazolecarbonitrile |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C5H4N2O |
Molecular Weight: | 108.09806 |
Synonyms: | 3-Cyano-5-methylisoxazole; |
Density: | 1.18g/cm3 |
Boiling Point: | 249.4 °C at 760 mmHg |
Flash Point: | 104.6 °C |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 23-26-36/37/39 |
PSA: | 49.82000 |
LogP: | 0.85468 |
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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