2-Cyanobenzeneboronic acid , 97% , 138642-62-3

Synonym(s):
[m-Cyanophenyl-4-yl]boronic acid;2-Cyanobenzeneboronic acid

CAS NO.：138642-62-3

Empirical Formula: C7H6BNO2

Molecular Weight: 146.94

MDL number: MFCD01632208

EINECS: 604-090-8

PRODUCT Properties

• Melting point: 240 °C (dec.) (lit.)
• Boiling point: 376.4±44.0 °C(Predicted)
• Density: 1.25±0.1 g/cm3(Predicted)
• storage temp.: Keep in dark place,Sealed in dry,Room Temperature
• solubility: Soluble in methanol.
• form: Powder
• pka: 7.98±0.58(Predicted)
• color: Off-white to cream
• InChI: InChI=1S/C7H6BNO2/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,10-11H
• InChIKey: NPLZNDDFVCGRAG-UHFFFAOYSA-N
• SMILES: B(C1=CC=CC=C1C#N)(O)O
• CAS DataBase Reference: 138642-62-3(CAS DataBase Reference)

Description and Uses

2-Cyanophenylboronic Acid is used in the synthesis of pyridine inhibitors of TAK1. Also participates in the discovery and synthesis of 1,2,4-triazoles as novel allosteric valosine containing protein (VCP) inhibitors. VCP is found highly abundant in various tumor types allowing for a potential target in cancer therapy.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319-H335
• Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338
• Hazard Codes: Xi
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37/39-37/39-36
• RIDADR: 3439
• WGK Germany: 3
• Hazard Note: Irritant
• HS Code: 29163990