HCID3861877

3-Chloro-4-pyridineboronic acid

(3-chloro-4-pyridinyl)boronic acid

C5H5BClNO2157.36 g/molCAS 458532-98-4

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IDENTITY

结构与身份

标准SMILES: OB(O)c1ccncc1Cl
InChIKey: JLIHQPWLAOYTRH-UHFFFAOYSA-N
分子式: C5H5BClNO2
平均分子量: 157.36 g/mol
单同位素质量: 157.0101863

COMPUTED

结构计算性质

已同步

极性表面积: 53.4 Å²
氢键供体: 2
氢键受体: 3
可旋转键: 1
重原子: 10
形式电荷: 0
复杂度: 114

GHS

GHS分类

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)

Aggregated GHS information provided per 4 reports by companies from 1 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.

ALIASES

名称与别名

共 23 条

458532-98-43-Chloro-4-pyridineboronic acid(3-chloropyridin-4-yl)boronic Acid3-Chloropyridine-4-boronic acidBORONIC ACID, (3-CHLORO-4-PYRIDINYL)-MFCD034259423-chloropyridin-4-ylboronic acid(3-chloro-4-pyridyl)boronic acidSCHEMBL1157763-Chloropyridin-4-boronic acidDTXSID10397514JLIHQPWLAOYTRH-UHFFFAOYSA-N(3-chloropyridin-4-yl)boronicAcid3-chloro-pyridine-4-yl boronic acidSBB052573AKOS006220751AB14722CS-W010907GS-6282BP-10401

REACTIONS