HCID3249312

(3-Ethoxycarbonylphenyl)boronic acid

C9H11BO4193.99 g/molCAS 4334-87-6

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)c1cccc(B(O)O)c1
InChIKey: REHVCPNQQBDOJJ-UHFFFAOYSA-N
分子式: C9H11BO4
平均分子量: 193.99 g/mol
单同位素质量: 194.075039

COMPUTED

结构计算性质

已同步

极性表面积: 66.8 Å²
氢键供体: 2
氢键受体: 4
可旋转键: 4
重原子: 14
形式电荷: 0
复杂度: 195

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 (97.9%): 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)

Aggregated GHS information provided per 47 reports by companies from 6 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

来源：PubChem

Hazard Classes and Categories

Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)

ALIASES

名称与别名

共 56 条

(3-ethoxycarbonylphenyl)boronic AcidRefChem:400170626-771-93-Ethoxycarbonylphenylboronic acid4334-87-63-(Ethoxycarbonyl)phenylboronic acid(3-(ethoxycarbonyl)phenyl)boronic acidMFCD02179444[3-(ethoxycarbonyl)phenyl]boronic acidm-ethoxycarbonylphenylboronic acid3-Ethoxycarbonylbenzeneboronic acidBENZOIC ACID, 3-BORONO-, 1-ETHYL ESTER3-(ethoxycarbonyl)benzeneboronic acid3-carbethoxyphenylboronic acidEthyl 3-boronobenzoate3-EthoxycarbonylphenylboronicacidEthyl 3-(Dihydroxyboranyl)Benzoate3-(ethoxycarbonyl)phenyl boronic acidPhenylboronic Acid, 2m-Carbethoxyphenylboronic acid

REACTIONS

参与反应

60 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID14756

uspto-grants-2010_06

作为反应物

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07732444B2

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HRID269522

uspto-grants-2008_11

作为反应物

uspto-grants-2008_11 · 10.6084/m9.figshare.5104873.v1 · US07446222B2

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HRID269583

uspto-grants-2008_11

作为反应物

uspto-grants-2008_11 · 10.6084/m9.figshare.5104873.v1 · US07446222B2

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HRID302062

Training data from https://doi.org/10.1039/C8SC04228D (8/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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HRID383763

uspto-grants-2013_02

作为反应物

uspto-grants-2013_02 · 10.6084/m9.figshare.5104873.v1 · US08367679B2

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HRID494867

uspto-grants-2009_05

作为反应物

uspto-grants-2009_05 · 10.6084/m9.figshare.5104873.v1 · US07538138B2

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HRID555040

uspto-grants-2011_11

作为反应物

uspto-grants-2011_11 · 10.6084/m9.figshare.5104873.v1 · US08048887B2

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HRID628835

uspto-grants-2016_04

作为反应物

uspto-grants-2016_04 · 10.6084/m9.figshare.5104873.v1 · US09315467B2

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