3,6二氢吡喃-5-硼酸酯

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

HCID 15836633

笔记反应

子结构检索查找相似结构

基本信息

CAS: 212127-81-6
标准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
单同位素质量: 210.1427246

名称与标识

首选名称: 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
中文名: 3,6二氢吡喃-5-硼酸酯
英文名: 3,6-dihydropyran-5-boronic ester
分子式: C11H19BO3
分子量: 210.08

名称与别名

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

展开更多名称

3,6二氢吡喃-5-硼酸酯3,6-二氢吡喃-5-硼酸频哪醇酯5,6-二氢-2H-吡喃-3-硼酸频哪醇酯2-(5,6-二氢-2H-吡喃-3-基)-4,4,5,5-四甲基-1,3,2-二噁硼戊环2-(5,6-二氢-2H-吡喃-3-基)-4,4,5,5-四甲基-1,3,2-二氧杂硼烷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

数据库标识

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

性质

结构计算性质

极性表面积: 27.7 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 1
重原子: 15
形式电荷: 0
复杂度: 268

物理化学性质

沸点: 238.6 · 238.6±50.0 °C(Predicted)
密度: 1.01 · 1.01±0.1 g/cm3(Predicted)
储存条件: 2 · Storage temp. 2-8°C
外观: Colorless to light yellow Liquid

安全与法规

GHS分类

GHS Classification · 5 条

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.