反应SMILES:O=C1Cc2ccc(Br)cc2N1
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

来源:PubChem
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

来源:PubChem
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

参与反应

66
HRID49122

uspto-grants-2004_03

作为反应物
HRID 49122 方程式

uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06706709B2

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HRID133922

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

作为反应物
HRID 133922 方程式

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

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HRID142266

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

作为反应物
HRID 142266 方程式

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

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HRID144904

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

作为反应物
HRID 144904 方程式

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

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HRID157114

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

作为反应物
HRID 157114 方程式

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

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HRID190803

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

作为反应物
HRID 190803 方程式

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

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HRID291777

Training data from https://doi.org/10.1039/C8SC04228D (8/10)

作为反应物
HRID 291777 方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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HRID417243

uspto-grants-2012_01

作为反应物
HRID 417243 方程式

uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08088815B2

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