4612-28-6
1,3-Benzenediboronic acid
CAS: 4612-28-6
Molecular Formula: C6H8B2O4
4612-28-6 - Names and Identifiers
| Name | 1,3-Benzenediboronic acid |
| Synonyms | 1,3-Benzendibororic Acid 1,3-Benzendiboronic acid 1,3-Benzenediboronic acid 1,3-BENZENEDIBORONIC ACID 1,3-Phenylenediboronic acid (3-boronophenyl)boronic acid benzene-1,3-diyldiboronic acid [3-(dihydroxyboranyl)phenyl]boronic acid {2-[(hydroxyboranyl)oxy]phenyl}boronic acid |
| CAS | 4612-28-6 |
| InChI | InChI=1/C6H8B2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,9-12H |
4612-28-6 - Physico-chemical Properties
| Molecular Formula | C6H8B2O4 |
| Molar Mass | 165.75 |
| Density | 1.33±0.1 g/cm3(Predicted) |
| Melting Point | >300°C |
| Boling Point | 456.4±55.0 °C(Predicted) |
| Flash Point | 229.8°C |
| Water Solubility | Slightly soluble in water. |
| Vapor Presure | 4.03E-09mmHg at 25°C |
| pKa | 8.14±0.10(Predicted) |
| Storage Condition | under inert gas (nitrogen or Argon) at 2-8°C |
| Refractive Index | 1.555 |
| MDL | MFCD03092915 |
4612-28-6 - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | 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. S36 - Wear suitable protective clothing. |
| HS Code | 29310095 |
4612-28-6 - Introduction
1,3-Benzenediboronic acid(1,3-Benzenediboronic acid) is an organic compound with the chemical formula C6H6B2O4. It is a white solid and has two boronic acid functional groups. Its properties are as follows:
1. Solubility: 1,3-Benzenediboronic acid is insoluble in water, but can be dissolved in organic solvents such as ethanol and dimethylformamide.
2. Stability: 1,3-Benzenediboronic acid is stable to air and moisture.
3. Reactivity: 1,3-Benzenediboronic acid can form borate ester compounds with organic compounds, which is one of its most common reactions.
The main uses of 1,3-Benzenediboronic acid are:
1. Optical material: It can be used to synthesize optical materials and surface modification materials with special properties.
2. Catalyst: 1,3-Benzenediboronic acid can be used as a homogeneous or heterogeneous catalyst for organic synthesis reactions, such as oxidation reactions and hydrogenation reactions.
3. Drug intermediate: It can be used as a drug intermediate for the synthesis of different drug molecules.
One method for preparing 1,3-Benzenediboronic acid is through the esterification reaction of benzene diborate. The specific step is that the benzene diborate ester is reacted with an acid catalyst and hydrolyzed under neutral or alkaline conditions to obtain the target product.
For safety information, 1,3-Benzenediboronic acid is a stable inorganic hydrochloric acid. However, when handling, contact with skin and eyes should be avoided, and good ventilation conditions should be maintained. Also, the use of personal protective equipment such as lab gloves, goggles, and lab coats is necessary.
1. Solubility: 1,3-Benzenediboronic acid is insoluble in water, but can be dissolved in organic solvents such as ethanol and dimethylformamide.
2. Stability: 1,3-Benzenediboronic acid is stable to air and moisture.
3. Reactivity: 1,3-Benzenediboronic acid can form borate ester compounds with organic compounds, which is one of its most common reactions.
The main uses of 1,3-Benzenediboronic acid are:
1. Optical material: It can be used to synthesize optical materials and surface modification materials with special properties.
2. Catalyst: 1,3-Benzenediboronic acid can be used as a homogeneous or heterogeneous catalyst for organic synthesis reactions, such as oxidation reactions and hydrogenation reactions.
3. Drug intermediate: It can be used as a drug intermediate for the synthesis of different drug molecules.
One method for preparing 1,3-Benzenediboronic acid is through the esterification reaction of benzene diborate. The specific step is that the benzene diborate ester is reacted with an acid catalyst and hydrolyzed under neutral or alkaline conditions to obtain the target product.
For safety information, 1,3-Benzenediboronic acid is a stable inorganic hydrochloric acid. However, when handling, contact with skin and eyes should be avoided, and good ventilation conditions should be maintained. Also, the use of personal protective equipment such as lab gloves, goggles, and lab coats is necessary.
Last Update：2024-04-09 21:11:58
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