CAS 1160502-10-2 2-Methyl-2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanenitrile (HCID 57969795)

基本情報

CAS: 1160502-10-2
標準SMILES: CC(C)(C#N)c1cccc(B2OC(C)(C)C(C)(C)O2)c1
InChIKey: KRZVGACTXWZULF-UHFFFAOYSA-N
分子式: C16H22BNO2
平均分子量: 271.2 g/mol
単同位体質量: 271.17435934

名称と識別子

優先名称: 2-Methyl-2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanenitrile
IUPAC: 2-methyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanenitrile
英語名: 2-Methyl-2-[3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-propionitrile
分子式: C16H22BNO2
分子量: 271.16

名称と別名

1160502-10-22-methyl-2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanenitrile2-methyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanenitrile2-methyl-2-[3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-propionitrileMFCD19689511DTXSID407285142-methyl-2-[3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]propionitrileAKOS022178774BS-443532-methyl-2-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanenitrileSCHEMBL2676160SCHEMBL29539651

名称をさらに表示

3-(2-Cyano-2-propyl)phenylboronic Acid Pinanol EsterBenzeneacetonitrile, α,α-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

KRZVGACTXWZULF-UHFFFAOYSA-NKWB50210AT165262-methyl-2-[3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]propanitrile2-methyl-2-(3-(4,4,5,5-tetrametSY323923DB-356133CS-0310346

物性

構造計算による物性

極性表面積: 42.3 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 20
形式電荷: 0
複雑度: 405

物理化学的性質

貯蔵温度: 2 · Storage temp. 2-8°C

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H302

化学と産業

上流・下流製品情報

上流原料

2-(3-Bromophenyl)-2-methylpropanenitrile ビス(ピナコラト)ジボロン

サプライヤー21 社

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

西安凯新生物科技有限公司029-68881181 13619217766

青岛凯亚隆医药科技有限公司053288191853 13061484198

康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]

化合物ノート

読み込み中…

2-Methyl-2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanenitrile