3-Methoxyphenylacetyl chloride 分子结构式
HCID2733246

3-Methoxyphenylacetyl chloride

2-(3-methoxyphenyl)acetyl chloride

C9H9ClO2184.62 g/molCAS 6834-42-0

IDENTITY

结构与身份

标准SMILES
COc1cccc(CC(=O)Cl)c1
InChIKey
UZUYKYNVSJTWEH-UHFFFAOYSA-N
分子式
C9H9ClO2
平均分子量
184.62 g/mol
单同位素质量
184.0291072

COMPUTED

结构计算性质

已同步
XLogP
2.5
极性表面积
26.3 Ų
氢键供体
0
氢键受体
2
可旋转键
3
重原子
12
形式电荷
0
复杂度
159

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

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

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P337+P317, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 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

Benzeneacetyl chloride, 3-methoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and Categories

Skin Corr. 1B (100%);Eye Irrit. 2 (100%);STOT SE 3 (100%)

REGULATORY

法规信息

来源:PubChem
Regulatory Information

Benzeneacetyl chloride, 3-methoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

ALIASES

名称与别名

共 28 条
3-Methoxyphenylacetyl chloride6834-42-0DTXSID00369806RefChem:280528DTXCID10320842628-791-32-(3-methoxyphenyl)acetyl chloride3-Methoxyphenylacetylchloride(3-methoxyphenyl)acetyl chlorideMFCD000122443-Methoxyphenylacetyl chloride, 98%3-methoxy-phenylacetylchlorideSCHEMBL211498(3-methoxyphenyl)acetylchloride3-methoxyphenyl acetyl chloride3-methoxyphenyl-acetyl chloride(3-methoxyphenyl)-acetyl chloride2-(3-methoxyphenyl)acetylchloride(3-methoxy-phenyl)-acetyl chlorideSTR05351

REACTIONS

参与反应

101
HRID 48576 反应方程式

uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06703392B2

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HRID 54639 反应方程式

uspto-grants-1997_04 · 10.6084/m9.figshare.5104873.v1 · US05623068

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HRID 58613 反应方程式

uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09434722B2

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HRID 87528 反应方程式

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

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HRID 90117 反应方程式

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

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HRID 145833 反应方程式

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

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HRID 198160 反应方程式

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

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HRID 304505 反应方程式

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

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