3405-77-4

3405-77-4 - Names and Identifiers

Name	5-Methylisoxazole-3-carboxylic acid
Synonyms	AKOS PAO-1374 BUTTPARK 278-47 TIMTEC-BB SBB005437 5-Methylisoxazole-3-carboxylic acid 5-METHYL-3-ISOXAZOLECARBOXYLIC ACID 5-METHYLISOXAZOLE-3-CARBOXYLIC ACID 5-Methylisooxazole-3-carboxylic acid 5-Methyl-3-isooxazolecarboxylic acid 5-methyl-1,2-oxazole-3-carboxylic acid
CAS	3405-77-4
EINECS	222-289-4
InChI	InChI=1/C5H5NO3/c1-3-2-4(5(7)8)6-9-3/h2H,1H3,(H,7,8)
InChIKey	BNMPIJWVMVNSRD-UHFFFAOYSA-N

3405-77-4 - Physico-chemical Properties

Molecular Formula	C5H5NO3
Molar Mass	127.1
Density	1.348±0.06 g/cm3(Predicted)
Melting Point	168 °C
Boling Point	312.5±22.0 °C(Predicted)
Flash Point	142.78°C
Solubility	DMSO (Slightly), Methanol (Slightly)
Vapor Presure	0mmHg at 25°C
Appearance	Solid
Color	Off-White to Pale Beige
BRN	114094
pKa	3.46±0.10(Predicted)
Storage Condition	Keep in dark place,Sealed in dry,Room Temperature
Refractive Index	1.514
MDL	MFCD01318162
Use	Reactant for: . Click/aza-Michael or Click/oligomeric alkyl carbodiimide esterification reactions . Preparation of aminopyrazole amide derivatives as Raf kinase inhibitors in melanoma cells . Preparation of trifluoromethoxyphenyl(thiazolyl)pyrroles a

3405-77-4 - Risk and Safety

Hazard Symbols	Xi - Irritant
Risk Codes	36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S37/39 - Wear suitable gloves and eye/face protection
WGK Germany	3
HS Code	29339900
Hazard Class	IRRITANT

3405-77-4 - Introduction

The acid is an organic compound whose chemical formula is C6H6N2O3. The following is a description of the nature, use, preparation and safety information of the crystal acid:

Nature:
-acid is a solid, white crystalline or crystalline powder.
-Its melting point is about 207-209°C.
-At room temperature, it is almost insoluble in water and soluble in acidic or alkaline solutions.
-It is readily soluble in organic solvents such as ethanol or dimethyl sulfoxide.

Use:
-acid is an important organic synthesis intermediate, often used to prepare other compounds.
-It is used as an intermediate for the synthesis or structural modification of drugs in the pharmaceutical field.
-Due to its special structure, acid is also commonly used as a catalyst for chemical reactions.

Preparation Method:
The preparation method of acid is mainly based on the chemical reaction of isoxazole.
-A commonly used preparation method is to obtain a product by reacting formic acid and methyl ethyl ketone nitrile under the action of a catalyst.

Safety Information:
-Generally acid dust may cause irritation to the eyes, skin and respiratory system, so wear appropriate protective equipment when using it.
-It is a low-toxic compound that is generally not toxic or dangerous under normal use.
-During storage and handling, avoid contact with oxidants, and keep the container sealed to avoid exposure to light and moisture.

Last Update：2024-04-09 21:04:16