2-CYANOPHENYLBORONIC ACID
(2-Cyanophenyl)boronic acid
CAS: 138642-62-3
Molecular Formula: C7H6BNO2
2-CYANOPHENYLBORONIC ACID - Names and Identifiers
| Name | (2-Cyanophenyl)boronic acid |
| Synonyms | 2-Cyanophenylboronic acid (2-Cyanophenyl)boronic acid ortho-cyanophenylboronic acid Boronic acid, B-(2-cyanophenyl)- [m-Cyanophenyl-4-yl]boronic acid 2-Cyanophenylboronic Acid (contains varying amounts of Anhydride) |
| CAS | 138642-62-3 |
| EINECS | 604-090-8 |
| InChI | InChI=1/C7H6BNO2/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,10-11H |
| InChIKey | NPLZNDDFVCGRAG-UHFFFAOYSA-N |
2-CYANOPHENYLBORONIC ACID - Physico-chemical Properties
| Molecular Formula | C7H6BNO2 |
| Molar Mass | 146.94 |
| Density | 1.25±0.1 g/cm3(Predicted) |
| Melting Point | 240 °C (dec.) (lit.) |
| Boling Point | 376.4±44.0 °C(Predicted) |
| Flash Point | 181.4°C |
| Solubility | Soluble in methanol. |
| Vapor Presure | 2.47E-06mmHg at 25°C |
| Appearance | White powder |
| Color | Off-white to cream |
| pKa | 7.98±0.58(Predicted) |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Refractive Index | 1.559 |
| MDL | MFCD01632208 |
2-CYANOPHENYLBORONIC ACID - 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. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S37/39 - Wear suitable gloves and eye/face protection S36 - Wear suitable protective clothing. |
| UN IDs | 3439 |
| WGK Germany | 3 |
| HS Code | 29163990 |
| Hazard Note | Irritant |
2-CYANOPHENYLBORONIC ACID - Reference Information
| Use | 2-cyanophenylboronic acid is a pyridine inhibitor for the synthesis of tak1. It is also involved in the discovery and synthesis of novel allosteric valine-containing protein (VCP) inhibitors of the 1,2, 4-triazole class. VCP is very high in various types of tumors, which provides a potential target for cancer therapy. |
Last Update：2024-04-10 22:29:15
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