4,4,5,5-Tetramethyl-2-(3-methyl-1-benzothiophen-2-yl)-1,3,2-dioxaborolane

HCID 59133196

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基本情報

CAS: 1072811-91-6
標準SMILES: Cc1c(B2OC(C)(C)C(C)(C)O2)sc2ccccc12
InChIKey: DVHBFOOMPZZQBN-UHFFFAOYSA-N
分子式: C15H19BO2S
平均分子量: 274.2 g/mol

名称と識別子

優先名称: 4,4,5,5-Tetramethyl-2-(3-methyl-1-benzothiophen-2-yl)-1,3,2-dioxaborolane
IUPAC: 4,4,5,5-tetramethyl-2-(3-methyl-1-benzothiophen-2-yl)-1,3,2-dioxaborolane
英語名: (3-METHYLBENZO[B]THIOPHEN-2-YL)BORONIC ACID PINACOL ESTER
分子式: C15H21BO3S
分子量: 292.20144

名称と別名

1072811-91-64,4,5,5-tetramethyl-2-(3-methyl-1-benzothiophen-2-yl)-1,3,2-dioxaborolaneRefChem:507102984-152-14,4,5,5-Tetramethyl-2-(3-methylbenzo[b]thiophen-2-yl)-1,3,2-dioxaborolane(3-Methylbenzo[b]thiophen-2-yl)boronic acid pinacol esterMFCD183830804,4,5,5-Tetramethyl-2-(3-methyl-benzo[b]thiophen-2-yl)[1,3,2]dioxaborolanestarbld0019755SCHEMBL594378DVHBFOOMPZZQBN-UHFFFAOYSA-NEX-A4603

名称をさらに表示

3-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b]thiopheneBenzo[b]thiophene, 3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

XSB81191SY372097DB-194142CS-0369281EN300-7547428F5324313-Methylbenzothiophene-2-boronic Acid Pinacol EsterZ2049897861

データベース識別子

CAS: 1072811-91-6
PubChem CID: 59133196
EC Number: 984-152-1

物性

構造計算による物性

極性表面積: 46.7 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: 19
形式電荷: 0
複雑度: 342

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, 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.