2-Cyanobenzeneboronic acid propane-1,3-diol cyclic ester - Names and Identifiers
Name | 2-Cyanophenylboronic acid 1,3-propanediol cyclic ester
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Synonyms | AKOS BRN-0170 2-(1,3,2-Dioxaborolan-2-Yl)Benzonitrile 2-(1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE 2-(1,3,2-DIOXABORINAN-2-YL)BENZONITRILE 2-(1,3,2-dioxaborinan-2-yl)benzonitrile 2-CYANOPHENYLBORONIC ACID PROPANEDIOL ESTER 2-Cyanophenylboronic acid-1,3-propanediol cyclic ester 2-CYANOPHENYLBORONIC ACID PROPANEDIOL-1,3 CYCLIC ESTER 2-Cyanophenylboronic acid 1,3-propanediol cyclic ester 2-Cyanobenzeneboronic acid propane-1,3-diol cyclic ester (2-CYANOPHENYL)BORONIC ACID, 1,3-PROPANEDIOL CYCLIC ESTER (2-CYANOPHENYL)BORONIC ACID PROPANE-1,3-DIOL CYCLIC ESTER
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CAS | 172732-52-4
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InChI | InChI=1/C10H10BNO2/c12-8-9-4-1-2-5-10(9)11-13-6-3-7-14-11/h1-2,4-5H,3,6-7H2 |
2-Cyanobenzeneboronic acid propane-1,3-diol cyclic ester - Physico-chemical Properties
Molecular Formula | C10H10BNO2
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Molar Mass | 187 |
Density | 1.13±0.1 g/cm3(Predicted) |
Melting Point | 46-56°C(lit.) |
Boling Point | 372.4±25.0 °C(Predicted) |
Flash Point | 179°C |
Solubility | Chloroform (Slightly), Methanol (Slightly) |
Vapor Presure | 9.63E-06mmHg at 25°C |
Appearance | solid |
Color | white |
Storage Condition | under inert gas (nitrogen or Argon) at 2-8°C |
Stability | Hygroscopic |
Refractive Index | 1.519 |
MDL | MFCD04039012 |
2-Cyanobenzeneboronic acid propane-1,3-diol cyclic ester - Risk and Safety
Hazard Symbols | Xi - Irritant
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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.
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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.
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UN IDs | 3439 |
WGK Germany | 3 |
TSCA | No |
Hazard Note | Irritant |
2-Cyanobenzeneboronic acid propane-1,3-diol cyclic ester - Introduction
2-Cyanophenylboronic acid 1,3-propanediol cyclic ester is an organic compound with the chemical formula C10H11NO3B. The following is an introduction to some of its properties, uses, methods and safety information:
Nature:
-Appearance: White crystalline solid
-Melting point: approximately 150-153 degrees Celsius
-Solubility: Soluble in some organic solvents, such as ethanol and dichloromethane
Use:
-As a reagent in Organic Synthesis: It can be used to synthesize organic compounds with specific chemical structures, for example, to prepare organic molecules containing benzene rings.
-As a catalyst: It can be used as a ligand for metal catalysts to catalyze a variety of organic reactions, such as amine alkylation and Amination Reactions.
Method:
The preparation of 2-Cyanophenylboronic acid 1,3-propanediol cyclic ester usually adopts chemical synthesis method, and the following is a commonly used preparation method:
-First, Phenylboronic acid and dimethyl carbonate are reacted to generate dimethyl Phenylboronic acid.
-Then, dimethyl Phenylboronic acid is reacted with cyano bromide to generate 2-Cyanophenylboronic acid 1,3-propanediol cyclic ester.
Safety Information:
- 2-Cyanophenylboronic acid 1,3-propanediol cyclic ester is stable at room temperature, but long-term exposure to fire and high temperature should be avoided.
-Its dust may cause irritation to the eyes, respiratory tract and skin, so you should take appropriate protective measures when using it, such as wearing protective glasses, masks and gloves.
-When using and storing, please follow the relevant safety procedures and store it in a dry, dark and ventilated place. In the event of an accident, the necessary first aid measures should be taken immediately and the advice of a professional doctor should be consulted.
Last Update:2024-04-10 22:29:15