HCID56776652

3-(2-Cyanopropan-2-yl)phenylboronic acid

[3-(2-cyanopropan-2-yl)phenyl]boronic acid

C10H12BNO2189.02 g/molCAS 885067-95-8

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IDENTITY

结构与身份

标准SMILES: CC(C)(C#N)c1cccc(B(O)O)c1
InChIKey: WHBIOYORDBEGAI-UHFFFAOYSA-N
分子式: C10H12BNO2
平均分子量: 189.02 g/mol
单同位素质量: 189.0961088

COMPUTED

结构计算性质

已同步

极性表面积: 64.3 Å²
氢键供体: 2
氢键受体: 3
可旋转键: 2
重原子: 14
形式电荷: 0
复杂度: 244

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；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, P317, 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.

ALIASES

名称与别名

共 24 条

3-(2-Cyanopropan-2-yl)phenylboronic acidRefChem:490957873-099-9885067-95-8(3-(2-Cyanopropan-2-yl)phenyl)boronic acidMFCD20441830[3-(2-Cyanopropan-2-yl)phenyl]boronic acid[3-(1-cyano-1-methylethyl)phenyl]boronic acid(3-(2-Cyanopropan-2-yl)phenyl)boronicacidSCHEMBL695600SCHEMBL30864983DTXSID40718334WHBIOYORDBEGAI-UHFFFAOYSA-NKKB06795AKOS0160009943-(2-Cyano-2-propyl)phenylboronic AcidBS-23970SY279650CS-01741863-(cyano-dimethyl-methyl)-phenyl boronic acid

REACTIONS

参与反应

2 条

uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08193183B2

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uspto-grants-2009_04 · 10.6084/m9.figshare.5104873.v1 · US07517889B2

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