HCID58204434

ethyl 2-methyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propanoate

ethyl 2-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propanoate

C15H25BN2O4308.18 g/molCAS 1201657-32-0

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)C(C)(C)n1cc(B2OC(C)(C)C(C)(C)O2)cn1
InChIKey: FIXNVGDENQNXPD-UHFFFAOYSA-N
分子式: C15H25BN2O4
平均分子量: 308.18 g/mol
单同位素质量: 308.1907374

COMPUTED

结构计算性质

已同步

极性表面积: 62.6 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 5
重原子: 22
形式电荷: 0
复杂度: 423

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 27 条

1201657-32-0ethyl 2-methyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propanoateMFCD18383253ethyl 2-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propanoate(1-(1-ETHOXY-2-METHYL-1-OXOPROPAN-2-YL)-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTER2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propanoate1H-Pyrazole-1-acetic acid, alpha,alpha-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl esterethyl 2-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]propanoateFIXNVGDENQNXPD-UHFFFAOYSA-NEthyl 2-methyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propanoate d6SCHEMBL1427738DTXSID201124182CS-M2566AKOS025404144SB16054AS-40965SY068998DB-264930F4718391-(1-Ethoxy-2-methyl-1-oxo-2-propyl)-1H-pyrazole-4-boronic Acid Pinacol Ester

REACTIONS