2-(5,6-ジヒドロ-2H-ピラン-3-イル)-4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン

2-(5,6-dihydro-2H-pyran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

HCID 15836633

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 212127-81-6
標準SMILES: CC1(C)OB(C2=CCCOC2)OC1(C)C
InChIKey: ABXRLUFQGNZBME-UHFFFAOYSA-N
分子式: C11H19BO3
平均分子量: 210.08 g/mol
単同位体質量: 210.1427246

名称と識別子

優先名称: 2-(5,6-dihydro-2H-pyran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC: 2-(3,6-dihydro-2H-pyran-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
現地名: 2-(5,6-ジヒドロ-2H-ピラン-3-イル)-4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン
英語名: 3,6-dihydropyran-5-boronic ester
分子式: C11H19BO3
分子量: 210.08

名称と別名

2-(5,6-dihydro-2H-pyran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneRefChem:458432827-656-8212127-81-6MFCD22189459(5,6-Dihydro-2H-pyran-3-yl)boronic acid pinacol ester2-(3,6-dihydro-2H-pyran-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane3,6-dihydropyran-5-boronic esterSCHEMBL570904DTXSID30578747ABXRLUFQGNZBME-UHFFFAOYSA-NMIA12781

名称をさらに表示

2-(5,6-ジヒドロ-2H-ピラン-3-イル)-4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン5,6-Dihydro-2H-pyran-3-boronic Acid Pinacol Ester5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-3,6-dihydro-2H-pyran2H-Pyran, 3,6-dihydro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(5,6-Dihydro-2H-pyran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane - [D22318]

AKOS025146760SB12727NCGC00663119-01AS-36644SY046642DB-291894CS-0052268EN300-761585

データベース識別子

CAS: 212127-81-6
PubChem CID: 15836633
DTXSID: DTXSID30578747
EC Number: 827-656-8
Nikkaji: J994.255F

物性

構造計算による物性

極性表面積: 27.7 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: 15
形式電荷: 0
複雑度: 268

物理化学的性質

沸点: 238.6 · 238.6±50.0 °C(Predicted)
比重(密度): 1.01 · 1.01±0.1 g/cm3(Predicted)
貯蔵温度: 2 · Storage temp. 2-8°C

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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.