-
Name
5-FORMYLISOXAZOLE
- EINECS
- CAS No. 16401-14-2
- Density 1.258 g/cm3
- Solubility
- Melting Point
- Formula C4H3NO2
- Boiling Point 211.891 °C at 760 mmHg
- Molecular Weight 97.07
- Flash Point 81.949 °C
- Transport Information
- Appearance
- Safety 36/37
- Risk Codes 43
-
Molecular Structure
- Hazard Symbols
- Synonyms 5-Formylisoxazole;
- PSA 43.10000
- LogP 0.48710
5-Isoxazolecarboxaldehyde Specification
The 5-Isoxazolecarboxaldehyde, with the CAS registry number 16401-14-2, is also known as Isoxazole-5-carboxaldehyde. This chemical's molecular formula is C4H3NO2 and molecular weight is 97.07. Its systematic name is called 1,2-oxazole-5-carbaldehyde.
Physical properties of 5-Isoxazolecarboxaldehyde: (1)ACD/LogP: -0.97; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 13; (5)ACD/KOC (pH 7.4): 13; (6)#H bond acceptors: 3; (7)#Freely Rotating Bonds: 1; (8)Index of Refraction: 1.519; (9)Molar Refractivity: 23.397 cm3; (10)Molar Volume: 77.118 cm3; (11)Surface Tension: 45.655 dyne/cm; (12)Density: 1.259 g/cm3; (13)Flash Point: 81.949 °C; (14)Enthalpy of Vaporization: 44.819 kJ/mol; (15)Boiling Point: 211.891 °C at 760 mmHg; (16)Vapour Pressure: 0.178 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1ccno1
(2)InChI: InChI=1/C4H3NO2/c6-3-4-1-2-5-7-4/h1-3H
(3)InChIKey: GSIPOZWLYGLXDM-UHFFFAOYAN
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