6-bromo-2,3-dihydro-1H-indol-2-one 分子结构式
HCID2773289

6-bromo-2,3-dihydro-1H-indol-2-one

6-bromo-1,3-dihydroindol-2-one

C8H6BrNO212.04 g/molCAS 99365-40-9

IDENTITY

结构与身份

标准SMILES
O=C1Cc2ccc(Br)cc2N1
InChIKey
JARRYVQFBQVOBE-UHFFFAOYSA-N
分子式
C8H6BrNO
平均分子量
212.04 g/mol
单同位素质量
210.96328

COMPUTED

结构计算性质

已同步
XLogP
1.9
极性表面积
29.1 Ų
氢键供体
1
氢键受体
1
可旋转键
0
重原子
11
形式电荷
0
复杂度
183

GHS

GHS分类

GHS Classification

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation];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)

Aggregated GHS information provided per 3 reports by companies from 3 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 (66.7%);Acute Tox. 4 (33.3%);Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);Acute Tox. 4 (33.3%);STOT SE 3 (100%)

ALIASES

名称与别名

共 44 条
6-BROMO-2,3-DIHYDRO-1H-INDOL-2-ONERefChem:540645800-899-76-Bromooxindole99365-40-96-bromoindolin-2-one6-Bromo-2-oxindole6-Bromo-1,3-dihydro-2H-indol-2-one6-bromo-1,3-dihydroindol-2-oneMFCD021796056-Bromo-2-indolinoneCHEMBL23814926-bromooxindol6-BROMO-1,3-DIHYDRO-INDOL-2-ONE6-BROMO-2-OXYINDOLE2H-INDOL-2-ONE, 6-BROMO-1,3-DIHYDRO-6-bromoxindole6-bromoindolinone6-Bromo-oxindoleMFCD22576660

REACTIONS

相关反应

96
HRID 49122 反应方程式

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HRID 133922 反应方程式

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

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HRID 142266 反应方程式

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

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HRID 144904 反应方程式

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

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HRID 157114 反应方程式

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

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HRID 188233 反应方程式

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

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HRID 190803 反应方程式

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

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HRID 215027 反应方程式

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

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