HCID108679

1-Naphthalenecarbonyl chloride, 2-ethoxy-

2-ethoxynaphthalene-1-carbonyl chloride

C13H11ClO2234.68 g/molCAS 55150-29-3

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IDENTITY

结构与身份

标准SMILES: CCOc1ccc2ccccc2c1C(=O)Cl
InChIKey: ZRVFFIXOCFUHDA-UHFFFAOYSA-N
分子式: C13H11ClO2
平均分子量: 234.68 g/mol
单同位素质量: 234.0447573

COMPUTED

结构计算性质

已同步

XLogP: 4
极性表面积: 26.3 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 3
重原子: 16
形式电荷: 0
复杂度: 254

GHS

GHS分类

来源：PubChem

GHS Classification

Danger

H302 (36.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (81.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (18.2%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (18.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (36.4%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 11 reports by companies from 5 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: 18-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20998；Status: Active Update: 07-10-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/24446

Hazard Classes and Categories

Acute Tox. 4 (36.4%)；Skin Corr. 1C (81.8%)；Skin Irrit. 2 (18.2%)；Eye Irrit. 2 (18.2%)；Acute Tox. 4 (36.4%)

REGULATORY

法规信息

来源：PubChem

Regulatory Information

USES

用途与制造

来源：PubChem

General Manufacturing Information

1-Naphthalenecarbonyl chloride, 2-ethoxy-: INACTIVE

ALIASES

名称与别名

共 22 条

55150-29-32-Ethoxynaphthalene-1-carbonyl chloride1-Naphthalenecarbonyl chloride, 2-ethoxy-EINECS 259-502-5DTXSID4069002RefChem:434764DTXCID6041842259-502-52-Ethoxy-1-naphthoyl ChlorideMFCD000464262-Ethoxy-1-naphthoylchloride2-ethoxy naphthoyl chlorideSCHEMBL627877STR04416AKOS0052072892-Ethoxy-naphthalene-1-carbonyl chlorideSY473467DB-021011CS-0327001NS00033248

REACTIONS

参与反应

12 条

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

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

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

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uspto-grants-2004_06 · 10.6084/m9.figshare.5104873.v1 · US06756382B2

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uspto-grants-2008_07 · 10.6084/m9.figshare.5104873.v1 · US07393859B2

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uspto-grants-2002_09 · 10.6084/m9.figshare.5104873.v1 · US06451810B1

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uspto-grants-2007_05 · 10.6084/m9.figshare.5104873.v1 · US07211601B2

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uspto-grants-2007_05 · 10.6084/m9.figshare.5104873.v1 · US07211601B2

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