3405-77-4
5-Methylisoxazole-3-carboxylic acid
CAS: 3405-77-4
Molecular Formula: C5H5NO3
3405-77-4 - Names and Identifiers
| Name | 5-Methylisoxazole-3-carboxylic acid |
| Synonyms | AKOS PAO-1374 BUTTPARK 27 8-47 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.
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
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View History
3405-77-4
1005-66-9
2372-31-8
扁油酸
3209-22-1
Methanesulfonyl chloride
canrenoic
SKL1373
72397-60-5
1-Heptyl acetate
1005-66-9
2372-31-8
扁油酸
3209-22-1
Methanesulfonyl chloride
canrenoic
SKL1373
72397-60-5
1-Heptyl acetate