CAS 515131-35-8 4-Methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid (HCID 16086086)

基本情報

CAS: 515131-35-8
標準SMILES: Cc1ccc(C(=O)O)cc1B1OC(C)(C)C(C)(C)O1
InChIKey: SUZCHODXFJYVKA-UHFFFAOYSA-N
分子式: C14H19BO4
平均分子量: 262.11 g/mol
単同位体質量: 262.13763949

名称と識別子

優先名称: 4-Methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
IUPAC: 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
現地名: 4-メチル-3-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)安息香酸
英語名: 3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
分子式: C13H16BFO4
分子量: 266.08

名称と別名

4-methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acidRefChem:525233841-720-2515131-35-84-Methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzoic acid4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acidMFCD09261433Benzoic acid, 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-Carboxy-2-methylphenylboronic Acid Pinacol Ester3-BORONO-4-METHYLBENZOIC ACID PINACOL ESTERSCHEMBL3970415-CARBOXY-2-METHYLPHENYLBORONIC ACID, PINACOL ESTER

名称をさらに表示

4-メチル-3-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)安息香酸4-Methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid4-Methyl-3-((4,4,5,5-tetramethyl)-1,3,2-dioxaboralan-2-yl)-benzoicacid4-Methyl-3-((4,4,5,5-tetramethyl)-1,3,2-dioxaboralan-2-yl)-benzoic acid 95+%

DTXSID20582075SUZCHODXFJYVKA-UHFFFAOYSA-NSBB1025104-Methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzoicacidAKOS015842276CS-W006046NCGC00662661-01DS-10595

物性

構造計算による物性

極性表面積: 55.8 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 19
形式電荷: 0
複雑度: 350

物理化学的性質

融点: 237 · 237-238°
貯蔵温度: 2 · Inert atmosphere,2-8°C
外見: solid
色: Off-white

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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

hs_code: 2931900090
hazard_class: IRRITANT

化学と産業

上流・下流製品情報

上流原料

3-ヨード-4-メチル安息香酸ビス(ピナコラト)ジボロン酢酸カリウム N,N-ジメチルホルムアミド

サプライヤー54 社

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

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上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]

化合物ノート

読み込み中…

4-メチル-3-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)安息香酸