HCID46738663

2-Methoxycarbonyl-5-pyridineboronic acid, pinacol ester

methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate

C13H18BNO4263.1 g/molCAS 957065-99-5

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1
InChIKey: IXKFGVRURWXXKX-UHFFFAOYSA-N
分子式: C13H18BNO4
平均分子量: 263.1 g/mol
单同位素质量: 263.1328882

COMPUTED

结构计算性质

已同步

极性表面积: 57.7 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 3
重原子: 19
形式电荷: 0
复杂度: 343

GHS

GHS分类

GHS Classification

Warning

H302 (25%): 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)

Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

Hazard Classes and Categories

Acute Tox. 4 (25%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 35 条

2-Methoxycarbonyl-5-pyridineboronic acid, pinacol esterRefChem:474574800-407-0957065-99-5Methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate2-(Methylcarboxy)pyridine-5-boronic acid pinacol ester6-(Methoxycarbonyl)pyridine-3-boronic acid pinacol estermethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylatemethyl 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylateMFCD08063051Methyl pyridine-5-boronic acid pinacol ester-2-carboxylate(6-(METHOXYCARBONYL)PYRIDIN-3-YL)BORONIC ACID PINACOL ESTER6-Methoxycarbonylpyridine-3-boronic acid pinacol esterSCHEMBL10835872-(Methoxycarbonyl)pyridine-5-boronic acid pinacol esterSCHEMBL30135556DTXSID60674322IXKFGVRURWXXKX-UHFFFAOYSA-NMethyl5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate2-(METHYLCARBOXY)PYRIDINE...

REACTIONS