5-Bromo-1-(cyclopropylmethyl)-1,2-dihydropyridin-2-one 分子结构式
HCID59635701

5-Bromo-1-(cyclopropylmethyl)-1,2-dihydropyridin-2-one

5-bromo-1-(cyclopropylmethyl)pyridin-2-one

C9H10BrNO228.09 g/molCAS 1114573-41-9

IDENTITY

结构与身份

标准SMILES
O=c1ccc(Br)cn1CC1CC1
InChIKey
LYJAMRBVRNCRMA-UHFFFAOYSA-N
分子式
C9H10BrNO
平均分子量
228.09 g/mol
单同位素质量
226.99458

COMPUTED

结构计算性质

已同步
XLogP
1.5
极性表面积
20.3 Ų
氢键供体
0
氢键受体
1
可旋转键
2
重原子
12
形式电荷
0
复杂度
266

GHS

GHS分类

GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];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, 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 2 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

Hazard Classes and Categories

Acute Tox. 4 (100%);Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);STOT SE 3 (100%)

ALIASES

名称与别名

共 20 条
5-bromo-1-(cyclopropylmethyl)-1,2-dihydropyridin-2-one1114573-41-9RefChem:532745987-524-15-bromo-1-(cyclopropylmethyl)pyridin-2(1H)-oneMFCD217466835-bromo-1-(cyclopropylmethyl)pyridin-2-oneSCHEMBL120724LYJAMRBVRNCRMA-UHFFFAOYSA-NPUB57341AKOS015654224AT13850KS-9188SY155389DB-123838CS-01553895-bromo-1-cyclopropylmethyl-1H-pyridin-2-one5-bromo-1-cyclopropylmethyl-1H-pyridin -2-oneEN300-138713F476211

REACTIONS

相关反应

19
HRID 80958 反应方程式

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HRID 406738 反应方程式

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HRID 406739 反应方程式

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HRID 470527 反应方程式

uspto-grants-2014_01 · 10.6084/m9.figshare.5104873.v1 · US08629138B2

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HRID 470528 反应方程式

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HRID 518259 反应方程式

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HRID 666547 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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HRID 1096435 反应方程式

uspto-grants-2012_03 · 10.6084/m9.figshare.5104873.v1 · US08138178B2

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