CAS 1352794-90-1 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-naphthonitrile (HCID 67997556)

基本情報

CAS: 1352794-90-1
標準SMILES: CC1(C)OB(c2ccc(C#N)c3ccccc23)OC1(C)C
InChIKey: ASVBKJRSNMSCCA-UHFFFAOYSA-N
分子式: C17H18BNO2
平均分子量: 279.1 g/mol

名称と識別子

優先名称: 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-naphthonitrile
IUPAC: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carbonitrile
英語名: 1-Naphthalenecarbonitrile, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
分子式: C17H18BNO2
分子量: 279.14

名称と別名

1352794-90-14-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-naphthonitrile4-(tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carbonitrileMFCD281675004-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carbonitrile4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-naphthalenecarbonitrile1-Naphthalenecarbonitrile, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-Naphthalenecarbonitrile,4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-SCHEMBL9988818ASVBKJRSNMSCCA-UHFFFAOYSA-NCEC79490SY031435

名称をさらに表示

DB-379691CS-00134431-Naphthonitrile-4-boronic acid pinacol esterC132124-Cyanonaphthalene-1-boronic Acid Pinacol EsterF600882A1-14264

データベース識別子

CAS: 1352794-90-1
PubChem CID: 67997556
EC Number: 160-958-1

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: 1
重原子数: 21
形式電荷: 0
複雑度: 437

物理化学的性質

貯蔵温度: 2 · 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.