3-Dimethylaminobenzoyl chloride hydrochloride 分子结构式
HCID22732309

3-Dimethylaminobenzoyl chloride hydrochloride

3-(dimethylamino)benzoyl chloride;hydrochloride

C9H11Cl2NO220.09 g/molCAS 117500-61-5

IDENTITY

结构与身份

标准SMILES
CN(C)c1cccc(C(=O)Cl)c1.Cl
InChIKey
NUDQPATXNFWFNK-UHFFFAOYSA-N
分子式
C9H11Cl2NO
平均分子量
220.09 g/mol
单同位素质量
219.0217694

COMPUTED

结构计算性质

已同步
极性表面积
20.3 Ų
氢键供体
1
氢键受体
2
可旋转键
2
重原子
13
形式电荷
0
复杂度
170

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 1 notifications to the ECHA C&L Inventory.;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.

ALIASES

名称与别名

共 22 条
3-DIMETHYLAMINOBENZOYL CHLORIDE HYDROCHLORIDERefChem:501090679-130-0117500-61-53-(Dimethylamino)benzoyl chloride hydrochloride3-(dimethylamino)benzoyl chloride;hydrochlorideBenzoyl chloride, 3-(dimethylamino)-, hydrochloride (1:1)3-dimethylaminobenzoyl chloride HClMFCD19442144MFCD02094023SCHEMBL219398DTXSID80627916NUDQPATXNFWFNK-UHFFFAOYSA-NAKOS023093095AS-703863-(Dimethylamino)benzoylchloridehydrochlorideCS-04415633-dimethylamino benzoyl chloride hydrochlorideW160153-dimethylamino-benzoyl chloride hydrochloride salt

REACTIONS

参与反应

9
HRID 416605 反应方程式

uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08088928B2

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HRID 419864 反应方程式

uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08093401B2

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HRID 605247 反应方程式

uspto-grants-2011_03 · 10.6084/m9.figshare.5104873.v1 · US07910595B2

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HRID 1360347 反应方程式

uspto-grants-2011_02 · 10.6084/m9.figshare.5104873.v1 · US07879853B2

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HRID 1393731 反应方程式

uspto-grants-2008_03 · 10.6084/m9.figshare.5104873.v1 · US07345178B2

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HRID 1666998 反应方程式

uspto-grants-2011_10 · 10.6084/m9.figshare.5104873.v1 · US08044198B2

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HRID 1697121 反应方程式

uspto-grants-2012_04 · 10.6084/m9.figshare.5104873.v1 · US08163908B2

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HRID 1924049 反应方程式

uspto-grants-2012_05 · 10.6084/m9.figshare.5104873.v1 · US08178536B2

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