2-(2,6-二氯苯氧基)乙腈 | 21244-78-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(2,6-二氯苯氧基)乙腈
• 中文别名: 2-(2,6-双氯酚氧基)乙腈
• 英文名称: 2-(2,6-dichlorophenoxy)acetonitrile
• 英文别名: (2,6-dichlorophenoxy)-acetonitrile；2,6-Dichlorophenyloxyacetonitril；(2,6-Dichlorphenoxy)acetonitril
• CAS: 21244-78-0
• 化学式: C₈H₅Cl₂NO
• mdl: MFCD00084998
• 分子量: 202.04
• InChiKey: LVLKWYRHTDZICQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R20/21/22,R36/37/38
• 海关编码：
  2926909090

SDS

Name:	2-(2 6-Dichlorophenoxy)acetonitrile 97% Material Safety Data Sheet
Synonym:
CAS:	21244-78-0

Section 1 - Chemical Product MSDS Name:2-(2 6-Dichlorophenoxy)acetonitrile 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
21244-78-0	2-(2,6-Dichlorophenoxy)acetonitrile	97%	unlisted

Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 21244-78-0: Personal Protective Equipment Eyes: Not available.
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: Solid
Color: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
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: C8H5ClNO
Molecular Weight: 202

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, reducing agents, acids.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 21244-78-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-(2,6-Dichlorophenoxy)acetonitrile - Not listed by ACGIH, IARC, or NTP.

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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
Shipping Name: NITRILES, SOLID, TOXIC, N.O.S.*
Hazard Class: 6.1
UN Number: 3276
Packing Group: III
IMO
Shipping Name: NITRILES, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 3276
Packing Group: III
RID/ADR
Shipping Name: NITRILES, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 3276
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
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# 21244-78-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 21244-78-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 21244-78-0 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-(2,6-二氯苯氧基)乙腈 在 硫化氢 作用下， 以 甲醇 、 丙酮 为溶剂， 生成 2-(2,6-Dichloro-phenoxy)-N-methyl-thioacetimidic acid methyl ester
  参考文献：
  名称：

  具有药用价值的芳氧基乙am

  摘要：

  进行了具有潜在医学价值的新的芳氧基乙am作为抗高血压药的合成。通过Pinner合成或对该方法的改进来进行未取代的N-甲基和N，N-二甲基am的制备。N，N，N'-三甲基芳氧基乙am必须通过另一种方法制备。已经制备和表征了十五种am啶和九种中间体，以前在文献中没有报道过。2-苯氧基氧基乙am，2-（2,6-二甲苯氧基）乙am，2-（2,6-二氯苯氧基）乙,、 2-（2,6-二甲氧基苯氧基）乙,、 2-苄氧基乙am及其N-甲基和N，N对二甲基衍生物的潜在心血管作用进行了评估。

  DOI：

  10.1002/jps.2600580108
• 作为产物：
  描述：

  2,6-二氯苯酚 、 氯乙腈 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 1.0h， 以89%的产率得到2-(2,6-二氯苯氧基)乙腈
  参考文献：
  名称：

  芥子油C和E的合成：吲哚单元的改进制备。

  摘要：

  利用Makosza的吲哚合成技术，建立了一种改进的吲哚单元的合成方法，吲哚单元是eudistomin C的关键中间体。在改进的合成的基础上，实现了一种精简的欧司他敏E的全合成。

  DOI：

  10.1021/ol800527p

文献信息

• Air-Stable CpCo^I -Phosphite-Fumarate Precatalyst in Cyclization Reactions: Comparing Different Methods of Energy Supply
  作者：Fabian Fischer、Marko Hapke

  DOI：10.1002/ejoc.201800196

  日期：2018.6.29

  reactor proved to be the most time‐efficient way to rapidly assemble the expected reaction products; however, careful selection of reaction conditions can be required. The synthesis of pyridines and isoquinolines successfully involved the utilization of versatile functionalized nitriles, affording structurally interesting reaction products. Comparison with the known and often applied precatalyst CpCo(CO)2

  研究了稳健的 CoI 预催化剂 [CpCo(POEt}3)(trans-MeO2CHC=CHCO2Me)] 在环三聚反应中的应用，从三炔、二炔和腈生成苯和吡啶，比较不同供能方式的影响；即辐射和常规（热）或微波加热。发现预催化剂在所有条件下都起作用，包括在室温下、在光化学条件下、在较长反应时间下催化环三聚的可能性。微波反应器中的反应被证明是快速组装预期反应产物最省时的方法；然而，可能需要仔细选择反应条件。吡啶和异喹啉的合成成功地涉及多功能官能化腈的利用，提供了结构有趣的反应产物。与已知且经常应用的预催化剂 CpCo(CO)2 进行比较，表明 CpCoI-亚磷酸酯-烯烃预催化剂具有显着更高的反应活性。
• Synthesis of a series of 2-aryloxymethylimidazoles
  作者：Edward R. Freiter、Louis K. Begin、Abdulmunien H. Abdallah

  DOI：10.1002/jhet.5570100320

  日期：1973.6
• Structure-Activity Relations in an Imidazoline Series Prepared for Their Analgesic Properties
  作者：W.Brock Neely、H.C. White、A. Rudzik

  DOI：10.1002/jps.2600570718

  日期：1968.7
• Synthesis of Eudistomin C and E: Improved Preparation of the Indole Unit
  作者：Hiroaki Yamagishi、Koji Matsumoto、Kotaro Iwasaki、Tohru Miyazaki、Satoshi Yokoshima、Hidetoshi Tokuyama、Tohru Fukuyama

  DOI：10.1021/ol800527p

  日期：2008.6.1

  An improved synthesis of the indole unit, a key intermediate for eudistomin C, was established utilizing Makosza's indole synthesis. A concise total synthesis of eudistomin E was achieved on the basis of the improved synthesis.

  利用Makosza的吲哚合成技术，建立了一种改进的吲哚单元的合成方法，吲哚单元是eudistomin C的关键中间体。在改进的合成的基础上，实现了一种精简的欧司他敏E的全合成。
• Aryloxyacetamidines of Medicinal Interest
  作者：William J. Haggerty、William J. Rost

  DOI：10.1002/jps.2600580108

  日期：1969.1

  reported in the literature have been prepared and characterized. 2-Thymoloxyacetamidine, 2-(2,6-xylyloxy)acetamidine, 2-(2,6-dichlorophenoxy)acetamidine, 2-(2,6-dimethoxyphenoxy)acetamidine, 2-benzyloxyacetamidine, and their N-methyl and N,N-dimethyl derivatives were evaluated for their potential cardiovascular effects. None of these compounds showed any potent pharmacological activities in a general

  进行了具有潜在医学价值的新的芳氧基乙am作为抗高血压药的合成。通过Pinner合成或对该方法的改进来进行未取代的N-甲基和N，N-二甲基am的制备。N，N，N'-三甲基芳氧基乙am必须通过另一种方法制备。已经制备和表征了十五种am啶和九种中间体，以前在文献中没有报道过。2-苯氧基氧基乙am，2-（2,6-二甲苯氧基）乙am，2-（2,6-二氯苯氧基）乙,、 2-（2,6-二甲氧基苯氧基）乙,、 2-苄氧基乙am及其N-甲基和N，N对二甲基衍生物的潜在心血管作用进行了评估。