578401

3-氰基苯硼酸频哪醇酯

97%

• 别名: 3-(4,4,5,5-四甲基-1,3,2-二氧杂环戊硼烷-2-基)苯甲腈
• 经验公式（希尔记法）: C₁₃H₁₆BNO₂
• CAS号: 214360-46-0
• 分子量: 229.08
• MDL號碼: MFCD03789262
• 分類程式碼代碼: 12352103
• PubChem物質ID: 24880925
• NACRES: NA.22

属性

• 品質等級: 100
• 化驗: 97%
• mp: 78-82 °C (lit.)
• 官能基: nitrile
• SMILES 字串: CC1(C)OB(OC1(C)C)c2cccc(c2)C#N
• InChI: 1S/C13H16BNO2/c1-12(2)13(3,4)17-14(16-12)11-7-5-6-10(8-11)9-15/h5-8H,1-4H3
• InChI 密鑰: FIGQEPXOSAFKTA-UHFFFAOYSA-N

说明

應用

3-Cyanophenylboronic acid pinacol ester can be used as a reactant to synthesize:

• 3-Cyano aryl/ heteroaryl derivatives by forming a C−C bond via palladium-catalyzed Suzuki-Miyaura reaction.
• 3-(Phenylamino)benzonitrile by copper-catalyzed Chan-Evans-Lam amination reaction.
• 3-(Trifluoromethyl)benzonitrile using potassium (trifluoromethyl)trimethoxyborate.

安全信息

• 象形圖: GHS07
• 訊號詞: Warning
• 危險聲明: H315,H319,H335
• 防範說明: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• 危險分類: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• 標靶器官: Respiratory system
• 儲存類別代碼: 11 - Combustible Solids
• 水污染物質分類（WGK）: WGK 3
• 閃點（°F）: Not applicable
• 閃點（°C）: Not applicable
• 個人防護裝備: dust mask type N95 (US), Eyeshields, Gloves