N-乙基碘化喹醛啶 | 606-55-3

• 物质功能分类: 医药中间体 - 杂环化合物 - 喹啉类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 中文名称: N-乙基碘化喹醛啶
• 中文别名: 喹醛啶碘乙烷；碘化N-乙基喹那啶；1-乙基-2-甲基碘化喹啉；1-乙基甲基碘化喹啉；碘化-N-乙基喹那啶
• 英文名称: 1-ethyl-2-methylquinolinium iodide
• 英文别名: N-ethyl-2-methylquinolinium iodide；N-ethylquinaldinium iodide；quinaldine ethiodide；1-ethyl-2-methylquinolin-1-ium;iodide
• CAS: 606-55-3
• 化学式: C₁₂H₁₄N*I
• 分子量: 299.154
• InChiKey: OEVSHJVOKFWBJY-UHFFFAOYSA-M

物化性质

• 熔点：
  244 °C (dec.)(lit.)
• 密度：
  1.4877 (estimate)
• 溶解度：
  250克/升
• 稳定性/保质期：
  性质与稳定性：在常温常压下，不会发生分解反应。

计算性质

• 辛醇/水分配系数(LogP)：
  -0.54
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  3.9
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• TSCA：
  Yes
• 危险品标志：
  Xi
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38
• WGK Germany：
  3
• 海关编码：
  2933 49 90
• RTECS号：
  VA0740000
• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312+P330,P302+P352+P312+P362+P364,P304+P340+P312,P501
• 危险性描述：
  H302+H312+H332
• 储存条件：
  贮存： 将密器密封后，储存在密封的主容器中，并放置在阴凉、干燥处。

SDS

Name:	1-Ethylquinaldinium Iodide 97% (titr.) Material Safety Data Sheet
Synonym:	N-ethylquinaldinium; 1-ethyl-2-methylquinolinium iodide; 2-methylquinoline ethiodide; Quinaldine ethiodide; Quinolinium, 1-ethyl-2methyl, iodide (9CI
CAS:	606-55-3

Section 1 - Chemical Product MSDS Name:1-Ethylquinaldinium Iodide 97% (titr.) Material Safety Data Sheet
Synonym:N-ethylquinaldinium; 1-ethyl-2-methylquinolinium iodide; 2-methylquinoline ethiodide; Quinaldine ethiodide; Quinolinium, 1-ethyl-2methyl, iodide (9CI

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
606-55-3	Quinolinium, 1-ethyl-2-methyl-, iodide	97%	210-120-7

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.Moisture sensitive.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
May cause irritation of the digestive tract.
Inhalation:
Causes respiratory tract irritation.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid contact with skin and eyes. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Keep container closed when not in use.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 606-55-3: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Powder
Color: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 244 deg C (dec)
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C12H14IN
Molecular Weight: 299.14

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, moisture.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, hydrogen iodide, iodide ions (I-).
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 606-55-3: VA0740000 LD50/LC50:
Not available.
Carcinogenicity:
Quinolinium, 1-ethyl-2-methyl-, iodide - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 606-55-3: No information available.
Canada
CAS# 606-55-3 is listed on Canada's DSL List.
CAS# 606-55-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 606-55-3 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  N-乙基碘化喹醛啶 在 哌啶 、 吡啶 作用下， 生成 3-乙基-5-[(1-乙基-(1H)-喹啉-2-亚基)亚乙基]-2-硫酮噻唑烷-4-酮
  参考文献：
  名称：

  Zenno, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1953, vol. 73, p. 595

  摘要：

  DOI：
• 作为产物：
  描述：

  1-乙基-2-甲基-1,2-二氢-喹啉 在 乙醇 、 碘 作用下， 生成 N-乙基碘化喹醛啶
  参考文献：
  名称：

  格氏试剂和二烷基镉对烷基喹啉鎓盐和烷基异喹啉鎓盐的作用。阴离子的基本强度与其在核取代反应中的取向之间的关系

  摘要：

  DOI：

  10.1039/jr9540002770

文献信息

• New Synthetic Approach to Aminosquarylium Cyanine Dyes
  作者：P. F. Santos、L. V. Reis、J. P. Serrano、P. Almeida

  DOI：10.1055/s-2002-34226

  日期：——

  A novel synthesis of aminosquarylium cyanine dyes, based on the methylation of readily available squarylium dyes with methyl triflate, followed by nucleophilic substitution with appropriate aliphatic amines, was disclosed. By this procedure several new aminosquarylium cyanine dyes bearing benzothiazole, benzoselenazole and quinoline nuclei were prepared.

  公开了一种氨基方酸菁染料的新型合成方法，该方法基于容易获得的方酸菁染料与三氟甲磺酸甲酯的甲基化，然后用适当的脂肪胺进行亲核取代。通过该程序制备了几种带有苯并噻唑、苯并硒唑和喹啉核的新型氨基方酸菁染料。
• 2-[3H-THIAZOL-2-YLIDINEMETHYL]PYRIDINES AND RELATED COMPOUNDS AND THEIR USE
  申请人：Brown Robert

  公开号：US20090247579A1

  公开（公告）日：2009-10-01

  The present invention pertains to certain 2-[3H-thiazol-2-ylidinemethyl]pyridine compounds and analogs thereof, which, inter alia, inhibit cell proliferation, treat cancer, etc., and more specifically to compounds of the following formula, wherein R A1 , R A2 , R A3 , R A4 , R B1 , R B2 , R NA , R NB , and X − are as defined herein: The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit cell proliferation, and in the treatment of proliferative conditions such as cancer, etc.

  本发明涉及某些2-[3H-噻唑-2-基亚甲基]吡啶化合物及其类似物，其中包括抑制细胞增殖、治疗癌症等作用，更具体地涉及以下式的化合物，其中R A1 、R A2 、R A3 、R A4 、R B1 、R B2 、R NA 、R NB 和X − 如本文所定义： 本发明还涉及包含这种化合物的药物组合物，以及在体外和体内使用这种化合物和组合物来抑制细胞增殖，并用于治疗癌症等增生性疾病。
• Dye including an anchoring group in its molecular structure
  申请人：Fuhrmann Gerda

  公开号：US08440840B2

  公开（公告）日：2013-05-14

  A dye including an anchoring group in its molecular structure, said anchoring group allowing a covalent coupling of said dye to a surface, for example a surface of a nanoporous semiconductor layer, said anchoring group being represented by formula 1 wherein attachment of said anchoring group within said molecular structure of said dye is at the terminal carbon marked with an asterisk in above formula, wherein G is selected from —COOH, —SO3H, —PO3H2, —BO2H2, —SH, —OH, —NH2, preferably —COOH, wherein A is selected from the group comprising H, —CN, —NO2, —COOR, —COSR, —COR, —CSR, —NCS, —CF3, —CONR2-OCF3, C6H5-mFm, wherein m=1-5, R being H or any straight or branched alkyl chain of general formula —CnH2n+I, n=O-12, preferably 0-4, or any substituted or non-substituted phenyl or biphenyl.

  分子结构中包括一个锚定基团的染料，所述锚定基团允许将所述染料共价耦合到表面，例如纳米多孔半导体层的表面，所述锚定基团由下式表示，其中所述锚定基团在上述式中标有星号的末端碳上附着，其中G选自—COOH、—SO3H、—PO3H2、—BO2H2、—SH、—OH、—NH2，优选—COOH，其中A选自包括H、—CN、—NO2、—COOR、—COSR、—COR、—CSR、—NCS、—CF3、—CONR2-OCF3、C6H5-mFm的基团，其中m=1-5，R为H或一般式—CnH2n+I的任何直链或支链烷基链，n=0-12，优选0-4，或任何取代或未取代的苯或联苯。
• Synthesis and Spectroscopic Characterisation of N-Alkyl Quaternary Ammonium Salts Typical Precursors of Cyanines
  作者：A. Pardal、S. Ramos、P. Santos、L. Reis、P. Almeida

  DOI：10.3390/70300320

  日期：——

  The synthesis and spectroscopic characterisation of some representative N-alkyl-substituted quaternary ammonium salts derived from benzothiazole, benzoxazole, benzo-selenazole, indole and quinoline are described. These heterocyclic salts, bearing an activated methyl group in the 2-position in relation to the nitrogen atom and N-methyl, -pentyl, -hexyl and -decyl chains, are typical precursors of cyanine

  描述了从苯并噻唑、苯并恶唑、苯并硒唑、吲哚和喹啉衍生的一些代表性 N-烷基取代季铵盐的合成和光谱表征。这些杂环盐在与氮原子和 N-甲基、-戊基、-己基和-癸基链相关的 2-位带有活化的甲基，是花青染料的典型前体。
• An Activatable AIEgen Probe for High‐Fidelity Monitoring of Overexpressed Tumor Enzyme Activity and Its Application to Surgical Tumor Excision
  作者：Haidong Li、Qichao Yao、Feng Xu、Yueqing Li、Dayeh Kim、Jeewon Chung、Gain Baek、Xiaofeng Wu、Prima Fitria Hillman、Eun Young Lee、Haoying Ge、Jiangli Fan、Jingyun Wang、Sang‐Jip Nam、Xiaojun Peng、Juyoung Yoon

  DOI：10.1002/anie.202001675

  日期：2020.6.15

  Monitoring fluctuations in enzyme overexpression facilitates early tumor detection and excision. An AIEgen probe (DQM‐ALP) for the imaging of alkaline phosphatase (ALP) activity was synthesized. The probe consists of a quinoline‐malononitrile (QM) core decorated with hydrophilic phosphate groups as ALP‐recognition units. The rapid liberation of DQM‐OH aggregates in the presence of ALP resulted in aggregation‐induced

  监测酶过表达的波动有助于早期发现和切除肿瘤。合成了用于碱性磷酸酶（ALP）活性成像的AIEgen探针（DQM-ALP）。该探针由装饰有亲水性磷酸基团作为ALP识别单元的喹啉-丙二腈（QM）核组成。在ALP存在下DQM-OH聚集体的快速释放导致聚集诱导的荧光。使用DQM-ALP对肿瘤细胞中ALP表达的上调进行了成像。该探针渗透到3D子宫颈和肝肿瘤球体中，可在双光子显微镜平台上以高空间分辨率对空间异质性ALP活性进行成像，从而提供了亚毫米肿瘤发生的荧光引导识别。DQM-ALP能够离体和体内区分肿瘤和正常组织，

表征谱图