4-氯苯氯甲基二甲硅烷 | 770-89-8

• 物质功能分类: 化学试剂 - 有机试剂 - 硅烷
• 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: 4-氯苯氯甲基二甲硅烷
• 英文名称: chloromethyl (4-chlorophenyl)-dimethyl silane
• 英文别名: (chloromethyl)(4-chlorophenyl)dimethylsilane；chloromethyl-(4-chloro-phenyl)-dimethyl-silane；Chlormethyl-(4-chlor-phenyl)-dimethyl-silan；chloromethyl (4-chlorophenyl) dimethyl silane；chloromethyl-(4-chlorophenyl)dimethylsilane；chloromethyl-(4-chlorophenyl)-dimethylsilane
• CAS: 770-89-8
• 化学式: C₉H₁₂Cl₂Si
• mdl: MFCD00800543
• 分子量: 219.186
• InChiKey: FWDXLPVOTHYLAA-UHFFFAOYSA-N

物化性质

• 沸点：
  87-89 °C (1 mmHg)
• 密度：
  1.1g/ml
• 稳定性/保质期：
  在常温常压下保持稳定，应避免与不相容的材料、湿空气或水分直接接触。

计算性质

• 辛醇/水分配系数(LogP)：
  4.93
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  29310099

SDS

Name:	Chloromethyl-4-Chlorophenyl Dimethylsilane , 97% (GC) Material Safety Data Sheet
Synonym:	Chloromethyl-(4-Chlorophenyl)Dimethylsilane
CAS:	770-89-8

Section 1 - Chemical Product MSDS Name: Chloromethyl-4-Chlorophenyl Dimethylsilane , 97% (GC) Material Safety Data Sheet
Synonym: Chloromethyl-(4-Chlorophenyl)Dimethylsilane

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SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
770-89-8	Chloromethyl Dimethyl-4-Chlorophenylsi	97	unlisted

+++++
Hazard Symbols: C

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SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Causes burns.Corrosive. Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
May cause severe and permanent damage to the digestive tract. Causes gastrointestinal tract burns. May cause nausea and vomiting.
Inhalation:
Causes chemical burns to the respiratory tract. Inhalation may be fatal as a result of spasm, inflammation, edema of the larynx and bronchi, chemical pneumonitis and pulmonary edema.
Chronic:
No information found.

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SECTION 4 - FIRST AID MEASURES
Eyes:
Get medical aid. Do NOT allow victim to rub eyes or keep eyes closed. Extensive irrigation with water is required (at least 30 minutes).
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Destroy contaminated shoes.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. Get medical aid. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
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. Use water spray to keep fire-exposed containers cool. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Cool containers with flooding quantities of water until well after fire is out. 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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

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SECTION 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Do not ingest or inhale. Use only in a chemical fume hood. Discard contaminated shoes.
Storage:
Keep container closed when not in use. Keep under a nitrogen blanket. Store in a cool, dry, well-ventilated area away from incompatible substances. Corrosives area.

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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# 770-89-8: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

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SECTION 9 - PHYSICAL AND CHEMICAL PROPERTIES
Physical State: Liquid
Color: clear almost colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 119 - 120 deg C @ 3.00mm Hg
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: C9H12Cl2Si
Molecular Weight: 219.19

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SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, excess heat, oxidizers.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, silicon dioxide.
Hazardous Polymerization: Has not been reported.

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SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 770-89-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Chloromethyl Dimethyl-4-Chlorophenylsilane - 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: CORROSIVE LIQUID, N.O.S.
Hazard Class: 8
UN Number: 1760
Packing Group: III IMO
Shipping Name: CORROSIVE LIQUID, N.O.S.
Hazard Class: 8
UN Number: 1760
Packing Group: III RID/ADR
Shipping Name: CORROSIVE LIQUID, N.O.S.
Hazard Class: 8
UN Number: 1760
Packing group: III

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SECTION 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 25 Avoid contact with eyes. S 28A After contact with skin, wash immediately with plenty of water. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. S 37 Wear suitable gloves. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 770-89-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 770-89-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 770-89-8 is not listed on the TSCA inventory. It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 2/19/1999 Revision #2 Date: 3/18/2003 The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4-氯苯氯甲基二甲硅烷 在 吡啶 、 magnesium 作用下， 以 乙醚 为溶剂， 反应 5.0h， 生成 [1-[(4-Chlorophenyl)-dimethylsilyl]-3,3-dimethylbutan-2-yl] 2,2,2-trifluoroacetate
  参考文献：
  名称：

  β-硅效应。4：取代基对1-氟-2-（芳基二甲基甲硅烷基）乙基三氟乙酸酯溶剂分解的影响

  摘要：

  在60％（v / v）乙醇水溶液中以电导法测定了2-（芳基二甲基甲硅烷基）-1-甲基乙基和2-（芳基二甲基甲硅烷基）-1-叔丁基乙基三氟乙酸盐的溶剂分解速率。在对溶剂分解率硅原子芳基取代基，在50的影响℃，用相关的参数- [R +  = 0.15与汤川-津野方程，得到ρ的值-1.5两个次级α -Me和α -叔- Bu系统。该ρ对于那些通过Eaborn（非垂直）机制产生的2-（芳基二甲基甲硅烷基）乙基系统，这些二级系统的值小于-1.75的负值，而对于2-（芳基二甲基甲硅烷基）-1-的2-（芳基二甲基甲硅烷基）乙基系统的负值明显大于-0.99。应通过Lambert（垂直）机理进行处理的苯乙基体系。β-甲硅烷基取代基效应的反应常数（ρ）与一系列β-甲硅烷基底物的溶剂分解反应性之间存在相当线性的关系。α- Me和叔-Bu底物的溶剂化过程以过渡态（TS）进行，且β的程度可观硅酮参与，靠近Eaborn

  DOI：

  10.1002/poc.1667
• 作为产物：
  描述：

  4-溴氯苯 、 氯甲基二甲基氯硅烷 生成 4-氯苯氯甲基二甲硅烷
  参考文献：
  名称：

  β-硅效应。4：取代基对1-氟-2-（芳基二甲基甲硅烷基）乙基三氟乙酸酯溶剂分解的影响

  摘要：

  在60％（v / v）乙醇水溶液中以电导法测定了2-（芳基二甲基甲硅烷基）-1-甲基乙基和2-（芳基二甲基甲硅烷基）-1-叔丁基乙基三氟乙酸盐的溶剂分解速率。在对溶剂分解率硅原子芳基取代基，在50的影响℃，用相关的参数- [R +  = 0.15与汤川-津野方程，得到ρ的值-1.5两个次级α -Me和α -叔- Bu系统。该ρ对于那些通过Eaborn（非垂直）机制产生的2-（芳基二甲基甲硅烷基）乙基系统，这些二级系统的值小于-1.75的负值，而对于2-（芳基二甲基甲硅烷基）-1-的2-（芳基二甲基甲硅烷基）乙基系统的负值明显大于-0.99。应通过Lambert（垂直）机理进行处理的苯乙基体系。β-甲硅烷基取代基效应的反应常数（ρ）与一系列β-甲硅烷基底物的溶剂分解反应性之间存在相当线性的关系。α- Me和叔-Bu底物的溶剂化过程以过渡态（TS）进行，且β的程度可观硅酮参与，靠近Eaborn

  DOI：

  10.1002/poc.1667

文献信息

• (Aryloxy)methylsilane Derivatives as New Cholesterol Biosynthesis Inhibitors: Synthesis and Hypocholesterolemic Activity of a New Class of Squalene Epoxidase Inhibitors
  作者：Jean-Pierre Gotteland、Isabelle Brunel、Fabrice Gendre、Jerome Desire、Andre Delhon、Didier Junquero、Philippe Oms、Serge Halazy

  DOI：10.1021/jm00017a004

  日期：1995.8

  (aryloxy)silane derivatives of benzylamine (4, 4', or 4") was synthesized and evaluated for hypocholesterolemic activity. Most of the new silane derivatives were identified as potent inhibitors of pig liver squalene epoxidase with IC50 values in the submicromolar range. In vitro inhibition of cholesterol biosynthesis in Hep-G2 cells was observed with a very good potency for the ene-yne derivatives 4a, 4i,

  合成了一系列苄胺的3-取代的（芳氧基）硅烷衍生物（4、4'或4”），并评估了其降胆固醇活性。大多数新的硅烷衍生物被鉴定为有效的猪肝角鲨烯环氧酶抑制剂，IC50值为在亚微摩尔范围内。对于烯-炔衍生物4a，4i，4n，4q和4u以及炔-炔化合物4“，体外观察到的Hep-G2细胞中胆固醇生物合成的抑制作用非常好。 。在体内，发现4i，4u，4'和4“口服后ED50值在2-7 mg / kg范围内时，会降低大鼠体内的胆固醇生物合成。因此，这些新的苄胺的（芳氧基）甲基硅烷衍生物代表一类新的强力角鲨烯环氧酶抑制剂，具有降低胆固醇的特性。
• The Yukawa–Tsuno Relationship for the β-Silicon Effect in the Solvolysis Rates of 2-(Aryldimethylsilyl)ethyl Chlorides
  作者：Mizue Fujio、Mai Uchida、Ayumi Okada、Md. Ashadul Alam、Ryoji Fujiyama、Hans-Ullrich Siehl、Yuho Tsuno

  DOI：10.1246/bcsj.78.1834

  日期：2005.10

  Solvolysis rates of 2-(aryldimethylsilyl)ethyl chlorides were determined conductimetrically in 60% (v/v) aqueous ethanol. The effects of aryl substituents at the silyl atom on the solvolysis rates ...

  2-（芳基二甲基甲硅烷基）乙基氯的溶剂分解速率在 60% (v/v) 乙醇水溶液中通过电导测定。甲硅烷基原子上芳基取代基对溶剂分解速率的影响...
• Fungicidal imidazole derivatives
  申请人：E. I. Du Pont de Nemours and Company

  公开号：US04496551A1

  公开（公告）日：1985-01-29

  Silicon-containing imidazoles having broad-spectrum fungicidal activity have been discovered.

  已发现具有广谱杀真菌活性的含硅咪唑类化合物。
• Fungicidal 1,2,4-triazole derivatives
  申请人：E. I. Du Pont de Nemours and Company

  公开号：US04510136A1

  公开（公告）日：1985-04-09

  Silicon-containing 1,2,4-triazoles having broad-spectrum fungicidal activity have been discovered.

  已发现具有广谱杀真菌活性的含硅1,2,4-三唑化合物。
• Thiomethyl-substituted organosilane compounds and their use as pesticides
  申请人：Uniroyal Chemical Company, Inc.

  公开号：US04804653A1

  公开（公告）日：1989-02-14

  Thiomethyl-substituted organosilane compounds demonstrate unexpected insecticidal and acaricidal control. Also disclosed are compositions comprising such compounds, a method of controlling pests employing such compounds, and a process of manufacturing such compounds.

  含硫甲基取代的有机硅化合物表现出意外的杀虫和杀螨控制效果。还公开了包含这些化合物的组合物、使用这些化合物控制害虫的方法以及制造这些化合物的过程。