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| CAS No.: | 55242-84-7 |
|---|---|
| Name: | Oxazole-4-carbonitrile |
| Molecular Structure: | |
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| Formula: | C4H2N2O |
| Molecular Weight: | 94.0727 |
| Synonyms: | 4-Cyano-oxazole; |
| EINECS: | 604-604-1 |
| Density: | 1.25 g/cm3 |
| Boiling Point: | 198.5 °C at 760 mmHg |
| Flash Point: | 73.9 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 49.82000 |
| LogP: | 0.54628 |
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Specification
The Oxazole-4-carbonitrile, with the CAS registry number 55242-84-7, is also known as 4-Cyanooxazole. It belongs to the product categories of Building Blocks and Oxazole. This chemical's molecular formula is C4H2N2O and molecular weight is 94.07. What's more, its systematic name is called Oxazole-4-carbonitrile.
Physical properties about Oxazole-4-carbonitrile are: (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: 1.489; (7) Molar Refractivity: 21.6 cm3; (8) Molar Volume: 74.7 cm3; (9) Surface Tension: 55.1 dyne/cm; (10) Density: 1.25 g/cm3; (11) Flash Point: 73.9 °C; (12) Enthalpy of Vaporization: 43.47 kJ/mol; (13) Boiling Point: 198.5 °C at 760 mmHg; (14) Vapour Pressure: 0.358 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1c(nco1)C#N
(2) InChI: InChI=1/C4H2N2O/c5-1-4-2-7-3-6-4/h2-3H
(3) InChIKey: UEEBKQWDBWDPKD-UHFFFAOYAB