5-methylisoxazole-3-carbonitrile

5-methylisoxazole-3-carbonitrile - Names and Identifiers

Name	5-methylisoxazole-3-carbonitrile
Synonyms	3-Cyano-5-methylisoxazole 5-methylisoxazole-3-carbonitrile 5-Methyl-3-isoxazolecarbonitrile 3-Isoxazolecarbonitrile, 5-methyl- 5-methyl-1,2-oxazole-3-carbonitrile
CAS	57351-99-2
InChI	InChI=1/C5H4N2O/c1-4-2-5(3-6)7-8-4/h2H,1H3

5-methylisoxazole-3-carbonitrile - Physico-chemical Properties

Molecular Formula	C5H4N2O
Molar Mass	108.1
Density	1.18±0.1 g/cm3(Predicted)
Boling Point	249.4±20.0 °C(Predicted)
Flash Point	104.6°C
Vapor Presure	0.023mmHg at 25°C
pKa	-6.83±0.50(Predicted)
Storage Condition	2-8°C
Refractive Index	1.488

5-methylisoxazole-3-carbonitrile - Risk and Safety

Risk Codes	R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	S23 - Do not breathe vapour. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection.
UN IDs	3276
HS Code	29349990
Hazard Note	Harmful
Hazard Class	6.1

5-methylisoxazole-3-carbonitrile - Introduction

It is an organic compound with the chemical formula C5H4N2 and a molecular weight of 100.10g/mol. The following is a detailed description of some of the properties, uses, preparation and safety information of this compound:

Nature:
-Appearance: It is a white crystalline solid.
-Melting point: The melting point of the compound is about 61-63 degrees Celsius.
-Boiling point: Boiling point is about 263 degrees Celsius.
-Solubility: This compound is easily soluble in ketones and alcohols organic solvents, slightly soluble in water.

Use:
-It has certain application value in the field of pesticide and medicine. It can be used as an important synthetic intermediate for the synthesis of various functional compounds. It is widely used in the synthesis of antibacterial drugs, peroxidase inhibitors and other biologically active molecules.

Preparation Method:
-preparation method is relatively simple. The common preparation method is to obtain 5-methylisoxazolone by the reaction of isoxazole ring and ethyl acetate, and then to obtain the target product by potassium aluminum hydride reduction.

Safety Information:
-The use and handling of a-should follow appropriate laboratory procedures and safe operating instructions.
-This compound is irritating to the skin and eyes, and should be rinsed with plenty of water immediately after contact.
-During operation or storage, avoid dust or exposure to open flames or high temperature sources to avoid fire or explosion.
-When using, pay attention to the safety measures of transportation, storage and handling, and avoid contact with flammable substances, strong acids and strong oxidants.

Last Update：2024-04-09 02:00:46