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Methyl 5-methylisoxazole-3-carboxylate

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Name

Methyl 5-methylisoxazole-3-carboxylate

EINECS 243-311-9
CAS No. 19788-35-3 Density 1.179 g/cm3
PSA 52.33000 LogP 0.76960
Solubility N/A Melting Point 90-92 °C
Formula C6H7NO3 Boiling Point 230.875 °C at 760 mmHg
Molecular Weight 141.126 Flash Point 93.43 °C
Transport Information N/A Appearance white to off-white crystalline powder
Safety 24/25-36-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 19788-35-3 (Methyl 5-methylisoxazole-3-carboxylate) Hazard Symbols IrritantXi
Synonyms

5-Methylisoxazole-3-carboxylicacid methyl ester;Methyl 5-methyl-3-isoxazolecarboxylate;Premnazole;

Article Data 6

Methyl 5-methylisoxazole-3-carboxylate Specification

The Methyl 5-methylisoxazole-3-carboxylate, with the CAS registry number 19788-35-3, is also known as 3-Isoxazolecarboxylic acid, 5-methyl-, methyl ester. It belongs to the product categories of Carboxylicester; Heterocycles series. Its EINECS registry number is 243-311-9. This chemical's molecular formula is C6H7NO3 and molecular weight is 141.12. Its IUPAC name is called methyl 5-methyl-1,2-oxazole-3-carboxylate. This chemical is white to off-white crystalline powder.

Physical properties of Methyl 5-methylisoxazole-3-carboxylate: (1)ACD/LogP: 0.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.942; (4)ACD/LogD (pH 7.4): 0.942; (5)ACD/BCF (pH 5.5): 3.064; (6)ACD/BCF (pH 7.4): 3.064; (7)ACD/KOC (pH 5.5): 77.568; (8)ACD/KOC (pH 7.4): 77.568; (9)#H bond acceptors: 4; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.468; (12)Molar Refractivity: 33.242 cm3; (13)Molar Volume: 119.62 cm3; (14)Surface Tension: 38.463 dyne/cm; (15)Density: 1.18 g/cm3; (16)Melting Point: 90-92 °C; (17)Flash Point: 93.43 °C; (18)Enthalpy of Vaporization: 46.752 kJ/mol; (19)Boiling Point: 230.875 °C at 760 mmHg; (20)Vapour Pressure: 0.064 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. You are avoided contacting it with skin and eyes. 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)Canonical SMILES: CC1=CC(=NO1)C(=O)OC
(2)InChI: InChI=1S/C6H7NO3/c1-4-3-5(7-10-4)6(8)9-2/h3H,1-2H3
(3)InChIKey: MVHHQOCEOUNTID-UHFFFAOYSA-N

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