6-溴-1,3-二氢-2H-吲哚-2-酮 (HCID 2773289)

名称与标识

首选名称: 6-bromo-2,3-dihydro-1H-indol-2-one
IUPAC: 6-bromo-1,3-dihydroindol-2-one
中文名: 6-溴-1,3-二氢-2H-吲哚-2-酮
英文名: 6-Bromo-1,3-dihydro-2H-indol-2-one
分子式: C8H6BrNO
分子量: 212.04

名称与别名

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-indolinoneCHEMBL2381492

展开更多名称

6-溴氧吲哚6-溴羟吲哚6-溴吲哚酮SWF-136-溴氧化吲哚6-溴-2-吲哚6-溴-2-羟吲哚6-溴-2-吲哚酮6-溴-2-氧代吲哚6-溴吲哚啉-2-酮B71130SWF-136-Bromoxoindole6-Bromooxoindole6-broMooxiindoleBROMOOXINDOLE (6-)6-Bromo-2-oxyndole

6-bromooxindol6-BROMO-1,3-DIHYDRO-INDOL-2-ONE6-BROMO-2-OXYINDOLE2H-INDOL-2-ONE, 6-BROMO-1,3-DIHYDRO-6-bromoxindole6-bromoindolinone6-Bromo-oxindoleMFCD22576660

数据库标识

CAS: 99365-40-9
PubChem CID: 2773289
DTXSID: DTXSID90378341
ChEMBL: CHEMBL2381492
EC Number: 800-899-7
Nikkaji: J2.211.139F

性质

结构计算性质

XLogP: 1.9
极性表面积: 29.1 Å²
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

物理化学性质

熔点: 217 · 217-221 °C(lit.)
沸点: 343.6 · 343.6±42.0 °C(Predicted)
密度: 1.666 · 1.666±0.06 g/cm3(Predicted)
储存条件: 2 · 2-8°C
溶解度: DMSo
形态: Solid
酸度系数(pKa): 13.39 · 13.39±0.20(Predicted)
颜色: Orange
水溶解性: Slightly soluble in water.
InChI: InChI=1S/C8H6BrNO/c9-6-2-1-5-3-8(11)10-7(5)4-6/h1-2,4H,3H2,(H,10,11)
InChIKey: JARRYVQFBQVOBE-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC(Br)=C2)CC1=O
CAS 数据库: 99365 · 99365-40-9(CAS DataBase Reference)

安全与法规

GHS分类

GHS Classification · 5 条

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.

危害信息

Hazard Classes and CategoriesAcute 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%)

安全数据

wgk: 3
hazard_note: Irritant
存储类别: 11 - Combustible Solids
安全说明: 26-36/37/39-24/25
海关编码: 29339900
危险品标志: Xi
危险类别码: 36/37/38

化学与工业

应用领域

用途6-溴-1,3-二氢-2H-吲哚-2-酮为酮类衍生物，可用作医药化工合成中间体。

制备方法

制备将2,5-二溴硝基苯溶于DMF中，加入乙酰乙酸乙酯和碳酸钾，80℃反应；之后加入3当量铁，在冰醋酸中120摄氏度反应，最终得到6-溴-1,3-二氢-2H-吲哚-2-酮)，收率90%。

上下游产品信息

下游产品

试剂价格

B3601 · 1g: 6-溴羟吲哚6-Bromooxindole — 25元
H56012 · 5g: 6-溴氧吲哚, 97%6-Bromooxindole, 97% — 701元

供应商50 家

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

关联笔记

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6-溴-1,3-二氢-2H-吲哚-2-酮

基本信息