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| CAS No.: | 118994-84-6 |
|---|---|
| Name: | Oxazole-4-carbaldehyde |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C4H3NO2 |
| Molecular Weight: | 97.0733 |
| Synonyms: | 4-Formyloxazole;1,3-Oxazole-4-carboxaldehyde;4-Oxazolecarboxaldehyde; |
| Density: | 1.258 g/cm3 |
| Melting Point: | 57-61 °C |
| Boiling Point: | 184.7 °C at 760 mmHg |
| Flash Point: | 65.5 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-36-43 |
| Safety: | 26-36/37 |
| PSA: | 43.10000 |
| LogP: | 0.48710 |
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Specification
The Oxazole-4-carbaldehyde, with the CAS registry number 118994-84-6, is also known as 4-Formyl-1,3-oxazole. It belongs to the product categories of Building Blocks; Oxazole. This chemical's molecular formula is C4H3NO2 and molecular weight is 97.0721. Its systematic name is called 1,3-oxazole-4-carbaldehyde.
Physical properties of Oxazole-4-carbaldehyde: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 13.42; (4)ACD/KOC (pH 7.4): 13.42; (5)#H bond acceptors: 3; (6)#Freely Rotating Bonds: 1; (7)Index of Refraction: 1.518; (8)Molar Refractivity: 23.39 cm3; (9)Molar Volume: 77.1 cm3; (10)Surface Tension: 45.6 dyne/cm; (11)Density: 1.258 g/cm3; (12)Flash Point: 65.5 °C; (13)Enthalpy of Vaporization: 42.09 kJ/mol; (14)Boiling Point: 184.7 °C at 760 mmHg; (15)Vapour Pressure: 0.723 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-oxazol-4-yl-propane-1,2,3-triol. This reaction will need reagent aqu. NaIO4/silica gel. The yield is about 70%.
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Uses of Oxazole-4-carbaldehyde: it can be used to produce bis-oxazol-4-yl-methanol. The yield is about 62%.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful if swallowed. In addition, it is irritating to eyes. This chemical may cause sensitisation by skin contact. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1cocn1
(2)InChI: InChI=1/C4H3NO2/c6-1-4-2-7-3-5-4/h1-3H
(3)InChIKey: JBWIIXBEPINWPB-UHFFFAOYAX