(2,4-Dimethylphenyl)boronic acid 分子结构式
HCID4198739

(2,4-Dimethylphenyl)boronic acid

C8H11BO2149.98 g/molCAS 55499-44-0

IDENTITY

结构与身份

标准SMILES
Cc1ccc(B(O)O)c(C)c1
InChIKey
TYONHSPZXLFWKI-UHFFFAOYSA-N
分子式
C8H11BO2
平均分子量
149.98 g/mol
单同位素质量
150.0852098

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
2
可旋转键
1
重原子
11
形式电荷
0
复杂度
127

GHS

GHS分类

GHS Classification

Warning

H302 (86.7%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (15.6%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (15.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (13.3%): 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 45 reports by companies from 5 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 (86.7%);Skin Irrit. 2 (15.6%);Eye Irrit. 2A (15.6%);STOT SE 3 (13.3%)

ALIASES

名称与别名

共 32 条
(2,4-dimethylphenyl)boronic AcidRefChem:394608640-293-82,4-Dimethylphenylboronic acid55499-44-02,4-Dimethylbenzeneboronic AcidMFCD026831012,4-Dimethyl phenyl boronic acid2,4-DimethylphenylboronicacidBoronic acid, (2,4-dimethylphenyl)-2,4-DIMETHYLBENZENEBORONICACIDm-Xylene-4-boronic AcidSCHEMBL424142,4-dimethylphenyl boronic acidSCHEMBL295910862,4-dimethylbenzene boronic acidDTXSID50400738(2,4-dimethyl-phenyl)boronic acid2,4-Dimethylphenylboronic acid, 95%AKOS000285074

REACTIONS

相关反应

44
HRID 87791 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

查看
HRID 126222 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

查看
HRID 137253 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

查看
HRID 204329 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

查看
HRID 237388 反应方程式

uspto-grants-2014_02 · 10.6084/m9.figshare.5104873.v1 · US08642594B2

查看
HRID 273377 反应方程式

uspto-grants-2008_11 · 10.6084/m9.figshare.5104873.v1 · US07456218B2

查看
HRID 598053 反应方程式

uspto-grants-2011_03 · 10.6084/m9.figshare.5104873.v1 · US07897607B2

查看
HRID 598066 反应方程式

uspto-grants-2011_03 · 10.6084/m9.figshare.5104873.v1 · US07897607B2

查看