HCID58204131

2-methyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]propan-2-ol

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

C13H23BN2O3266.15 g/molCAS 1082503-77-2

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IDENTITY

结构与身份

标准 SMILES: CC(C)(O)Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1
InChIKey: GCHUQHKHUFMWDH-UHFFFAOYSA-N
分子式: C13H23BN2O3
平均分子量: 266.15 g/mol
单同位素质量: 266.1801728

COMPUTED

结构计算性质

已同步

极性表面积: 56.5 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 3
重原子: 19
形式电荷: 0
复杂度: 331

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 32 条

1082503-77-22-methyl-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propan-2-ol2-METHYL-1-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOL-1-YL]PROPAN-2-OLRefChem:474850985-879-7[1-(2-HYDROXY-2-METHYL-PROPYL)PYRAZOL-4-YL]BORONIC ACID PINACOL ESTERMFCD223780112-methyl-1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]propan-2-ol2-methyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propan-2-ol(1-(2-Hydroxy-2-methylpropyl)-1H-pyrazol-4-yl)boronic acid pinacol ester2-Methyl-1-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrazol-1-yl]-propan-2-ol2-methyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]-2-propanolSCHEMBL304019CHEMBL5776927GCHUQHKHUFMWDH-UHFFFAOYSA-NBDBM301744HTB50377CS2256AKOS024463291DS-7239

REACTIONS