(2,3-Difluorophenyl)boronic acid 分子结构式
HCID2734333

(2,3-Difluorophenyl)boronic acid

C6H5BF2O2157.91 g/molCAS 121219-16-7

IDENTITY

结构与身份

标准SMILES
OB(O)c1cccc(F)c1F
InChIKey
SZYXKFKWFYUOGZ-UHFFFAOYSA-N
分子式
C6H5BF2O2
平均分子量
157.91 g/mol
单同位素质量
158.0350659

COMPUTED

结构计算性质

已同步
极性表面积
40.5 Ų
氢键供体
2
氢键受体
4
可旋转键
1
重原子
11
形式电荷
0
复杂度
134

GHS

GHS分类

GHS Classification

Warning

H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (88.9%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (88.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (77.8%): 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 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

Hazard Classes and Categories

Acute Tox. 4 (11.1%);Skin Irrit. 2 (88.9%);Eye Irrit. 2A (88.9%);STOT SE 3 (77.8%)

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

ALIASES

名称与别名

共 34 条
2,3-Difluorophenylboronic acid121219-16-7(2,3-difluorophenyl)boronic AcidDTXSID90370224RefChem:442137DTXCID80321260685-121-22,3-Difluorobenzeneboronic AcidMFCD018631702,3-Difluorophenylboronicacid(2,3-Difluorophenyl)BoranediolBoronic acid, (2,3-difluorophenyl)-difluorophenylboronic acidSCHEMBL43842,3 difluorophenyl boronic acid2,3-difluoro phenylboronic acid2,3-difluoro-phenylboronic acid2,3-difluorophenyl boronic acidSCHEMBL293990462,3-difluoro benzeneboronic acid

REACTIONS

相关反应

118
HRID 14390 反应方程式

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07732438B2

查看
HRID 17453 反应方程式

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07737166B2

查看
HRID 20129 反应方程式

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07745427B2

查看
HRID 20134 反应方程式

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07745427B2

查看
HRID 20175 反应方程式

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07745427B2

查看
HRID 36815 反应方程式

uspto-grants-1995_05 · 10.6084/m9.figshare.5104873.v1 · US05417885

查看
HRID 36816 反应方程式

uspto-grants-1995_05 · 10.6084/m9.figshare.5104873.v1 · US05417885

查看
HRID 36818 反应方程式

uspto-grants-1995_05 · 10.6084/m9.figshare.5104873.v1 · US05417885

查看