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CAS No.: | 6436-62-0 |
---|---|
Name: | 4-Isoxazolecarboxylic acid |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C4H3NO3 |
Molecular Weight: | 113.073 |
Synonyms: | 4-Carboxyisoxazole;1,2-oxazole-4-carboxylic acid; |
Density: | 1.45 g/cm3 |
Melting Point: | 123-124 °C |
Boiling Point: | 321.203 °C at 760 mmHg |
Flash Point: | 148.058 °C |
Appearance: | off-white to light yellow powder |
Hazard Symbols: | Xi |
PSA: | 63.33000 |
LogP: | 0.37280 |
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The 4-Isoxazolecarboxylicacid, with the CAS registry number 6436-62-0, is also known as 4-Carboxyisoxazole. It belongs to the product categories of Carboxylic Acids; Oxazoles, Isoxazoles & Benzoxazoles; Carboxylic Acids; Oxazoles, Isoxazoles & Benzoxazoles. This chemical's molecular formula is C4H3NO3 and molecular weight is 113.07. Its IUPAC name is called 1,2-oxazole-4-carboxylic acid. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of 4-Isoxazolecarboxylicacid: (1)ACD/LogP: -0.24; (2)ACD/LogD (pH 5.5): -2.47; (3)ACD/LogD (pH 7.4): -3.35; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.516; (12)Molar Refractivity: 23.57 cm3; (13)Molar Volume: 77.9 cm3; (14)Surface Tension: 60.5 dyne/cm; (15)Density: 1.449 g/cm3; (16)Flash Point: 148.1 °C; (17)Enthalpy of Vaporization: 59.43 kJ/mol; (18)Boiling Point: 321.2 °C at 760 mmHg; (19)Vapour Pressure: 0.000125 mmHg at 25°C.
Preparation: this chemical can be prepared by isoxazole-4-carboxylic acid ethyl ester. This reaction will need reagent aqueous HCl.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C=NO1)C(=O)O
(2)InChI: InChI=1S/C4H3NO3/c6-4(7)3-1-5-8-2-3/h1-2H,(H,6,7)
(3)InChIKey: LYPXTDXYEQEIIN-UHFFFAOYSA-N