5980-97-2
2,4,6-Trimethylbenzeneboronic acid
CAS: 5980-97-2
Molecular Formula: C9H13BO2
5980-97-2 - Names and Identifiers
| Name | 2,4,6-Trimethylbenzeneboronic acid |
| Synonyms | MESITYLBORONIC ACID RARECHEM AH PB 0155 Mesitylboronic Acid 2,4,6-Trimethylpheny Mesitylene-2-boronic acid 2,4,6-TRIMETHYLBORONIC ACID 2,4,6-Trimethylphenylboronic acid 2,4,6-Trimethylbenzeneboronic acid Mesitylboronic acid~2,4,6-Trimethylphenylboronic acid 2,4,6-Trimethylbenzeneboronic acid, Mesitylene-2-boronic acid |
| CAS | 5980-97-2 |
| InChI | InChI=1/C9H13BO2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5,11-12H,1-3H3 |
5980-97-2 - Physico-chemical Properties
| Molecular Formula | C9H13BO2 |
| Molar Mass | 164.01 |
| Density | 1.05±0.1 g/cm3(Predicted) |
| Melting Point | 115-122 °C (lit.) |
| Boling Point | 309.1±52.0 °C(Predicted) |
| Flash Point | 140.7°C |
| Solubility | soluble in Methanol |
| Vapor Presure | 0.000282mmHg at 25°C |
| Appearance | powder |
| Color | White to Almost white |
| BRN | 2831927 |
| pKa | 9.00±0.58(Predicted) |
| Storage Condition | Inert atmosphere,Room Temperature |
| Refractive Index | 1.519 |
| MDL | MFCD00236060 |
5980-97-2 - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R10 - Flammable |
| Safety Description | S37/39 - Wear suitable gloves and eye/face protection S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S33 - Take precautionary measures against static discharges. S29 - Do not empty into drains. S16 - Keep away from sources of ignition. S3/7/9 - S24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 3 |
| HS Code | 29209090 |
| Hazard Class | IRRITANT |
5980-97-2 - Introduction
2,4,6-Trimethylbenzeneboronic acid is an organic boron compound with the chemical formula C9H13BO2. The following is a detailed description of the properties, uses, preparation and safety information of the compound:
Nature:
-Appearance: 2,4,6-Trimethylbenzeneboronic acid is a white crystalline powder.
-Solubility: It is soluble in common organic solvents, such as ethanol, dimethylformamide and dichloromethane, but has low solubility in water.
-Melting point: The compound has a high melting point, about 140-144°C.
-Stability: 2,4,6-Trimethylbenzeneboronic acid is relatively stable under conventional experimental conditions.
Use:
- 2,4,6-Trimethylbenzeneboronic acid is an important reagent in organic synthesis and can be used as a catalyst and donor ligand for organometallic chemical reactions, especially in the cross-coupling reaction of phenylboronic acid and other organic compounds.
-It can also be used to synthesize fluorescent dyes, pharmaceutically active molecules and functional materials.
Preparation Method:
- 2,4,6-Trimethylbenzeneboronic acid is generally prepared by the reaction of phenylboronic acid and methylbenzene, which can be catalyzed by cobalt oxide or molybdenum. Specific steps include reacting phenylboronic acid with methylbenzene in a reaction solvent, followed by crystallization and filtration to obtain the product.
Safety Information:
- 2,4,6-Trimethylbenzeneboronic acid has low toxicity, but it should still be used in accordance with general laboratory practices.
-Avoid direct contact with eyes, skin and respiratory tract during handling and storage.
-This compound will produce toxic gases when it burns, so avoid contact with strong oxidants and open flames.
-During use, it is recommended to wear appropriate personal protective equipment, such as glasses, gloves and laboratory coats.
-For accidental inhalation or ingestion, please seek medical assistance immediately and provide the safety data sheet to the medical staff for reference.
Nature:
-Appearance: 2,4,6-Trimethylbenzeneboronic acid is a white crystalline powder.
-Solubility: It is soluble in common organic solvents, such as ethanol, dimethylformamide and dichloromethane, but has low solubility in water.
-Melting point: The compound has a high melting point, about 140-144°C.
-Stability: 2,4,6-Trimethylbenzeneboronic acid is relatively stable under conventional experimental conditions.
Use:
- 2,4,6-Trimethylbenzeneboronic acid is an important reagent in organic synthesis and can be used as a catalyst and donor ligand for organometallic chemical reactions, especially in the cross-coupling reaction of phenylboronic acid and other organic compounds.
-It can also be used to synthesize fluorescent dyes, pharmaceutically active molecules and functional materials.
Preparation Method:
- 2,4,6-Trimethylbenzeneboronic acid is generally prepared by the reaction of phenylboronic acid and methylbenzene, which can be catalyzed by cobalt oxide or molybdenum. Specific steps include reacting phenylboronic acid with methylbenzene in a reaction solvent, followed by crystallization and filtration to obtain the product.
Safety Information:
- 2,4,6-Trimethylbenzeneboronic acid has low toxicity, but it should still be used in accordance with general laboratory practices.
-Avoid direct contact with eyes, skin and respiratory tract during handling and storage.
-This compound will produce toxic gases when it burns, so avoid contact with strong oxidants and open flames.
-During use, it is recommended to wear appropriate personal protective equipment, such as glasses, gloves and laboratory coats.
-For accidental inhalation or ingestion, please seek medical assistance immediately and provide the safety data sheet to the medical staff for reference.
Last Update：2024-04-09 20:49:11
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