HCID120053

11-(Chloroacetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one

11-(2-chloroacetyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one

C14H10ClN3O2287.7 g/molCAS 28797-48-0

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IDENTITY

结构与身份

标准SMILES: O=C1Nc2cccnc2N(C(=O)CCl)c2ccccc21
InChIKey: RMBZFWLMYVPNGI-UHFFFAOYSA-N
分子式: C14H10ClN3O2
平均分子量: 287.7 g/mol
单同位素质量: 287.0461543

COMPUTED

结构计算性质

已同步

XLogP: 0.8
极性表面积: 62.3 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 1
重原子: 20
形式电荷: 0
复杂度: 404

PROPERTIES

实验与物化性质

来源：PubChem

Solubility

>43.2 [ug/mL] (The mean of the results at pH 7.4)

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 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

Regulatory Information

Status: Active Update: 09-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18580

Hazard Classes and Categories

Skin Sens. 1A (100%)；Eye Irrit. 2 (100%)

REGULATORY

法规信息

来源：PubChem

Regulatory Information

Status: Active Update: 09-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18580

ALIASES

名称与别名

共 54 条

28797-48-011-(Chloroacetyl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one11-(2-chloroacetyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one3MF3ZSQ8A6EINECS 249-227-911-(Chloroacetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one, 11-(2-chloroacetyl)-5,11-dihydro-DTXSID0018297611-(2-chloroacetyl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one11-(2-CHLOROACETYL)-5H-PYRIDO(2,3-B)(1,4)BENZODIAZEPIN-6-ONE2-CHLORO-1-(6-HYDROXY-11H-PYRIDO(2,3-B)(1,4)BENZODIAZEPIN-11-YL)ETHANONE6H-PYRIDO(2,3-B)(1,4)BENZODIAZEPIN-6-ONE, 11-(2-CHLOROACETYL)-5,11-DIHYDRO-11-(2-Chloroacetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one2-chloro-1-(6-hydroxy-11H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethanoneRefChem:437199DTXCID40105467249-227-911-(2-Chloroacetyl)-5H-benzo[e]pyrido[3,2-b][1,4]diazepin-6(11H)-one5,11-Dihydro-11-chloroacetyl-6H-pyrido[2,3-b][1,4]benzodiazepine-6-oneMFCD01948712

REACTIONS

参与反应

65 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID36855

uspto-grants-1995_05

作为反应物

uspto-grants-1995_05 · 10.6084/m9.figshare.5104873.v1 · US05418229

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HRID97383

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

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HRID102168

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

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HRID106817

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

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HRID119413

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

作为反应物

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HRID149413

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

作为反应物

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

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HRID156239

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

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HRID159271

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

作为反应物

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

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