3-氰基丙基三甲氧基硅烷 | 55453-24-2

• 物质功能分类: 化学试剂 - 硅烷试剂
• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 中文名称: 3-氰基丙基三甲氧基硅烷
• 英文名称: 4-(trimethoxysilyl)butanenitrile
• 英文别名: 3-cyanopropyl-trimethoxysilane；3-Cyanopropyltrimethoxysilane；4-trimethoxysilylbutanenitrile
• CAS: 55453-24-2
• 化学式: C₇H₁₅NO₃Si
• mdl: MFCD00019890
• 分子量: 189.286
• InChiKey: FPJPAIQDDFIEKJ-UHFFFAOYSA-N

物化性质

• 熔点：
  <0°C
• 沸点：
  90 °C
• 密度：
  1.026
• 闪点：
  >65°C

计算性质

• 辛醇/水分配系数(LogP)：
  0.41
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.857
• 拓扑面积：
  51.5
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• TSCA：
  Yes
• 安全说明：
  S26,S28,S36/37/39
• 危险类别码：
  R20/21/22

SDS

Version 1.0
Regulation (EC) No 1907/2006

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1 - Product and Company Information

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Product Name 4-(TRIMETHOXYSILYL)-BUTYRONITR - 250 MG
ILE

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2 - Hazards Identification

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SPECIAL INDICATION OF HAZARDS TO HUMANS AND THE ENVIRONMENT
Irritating to respiratory system and skin. Risk of serious damage
to eyes.

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3 - Composition/Information on Ingredients

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Product Name CAS # EC no Annex I
Index Number
4-(TRIMETHOXYSILYL)BUTYRONITRILE 55453-24-2 259-646-9 None
Formula C7H15NO3Si
Molecular Weight 189,2800 AMU

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4 - First Aid Measures

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AFTER INHALATION
If inhaled, remove to fresh air. If not breathing give
artificial respiration. If breathing is difficult, give oxygen.
AFTER SKIN CONTACT
In case of contact, immediately wash skin with soap and copious
amounts of water.
AFTER EYE CONTACT
In case of contact, immediately flush eyes with copious amounts
of water for at least 15 minutes.
AFTER INGESTION
If swallowed, wash out mouth with water provided person is
conscious. Call a physician.

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5 - Fire Fighting Measures

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ALDRICH www.molbase.com
EXTINGUISHING MEDIA
Suitable: Water spray. Carbon dioxide, dry chemical powder, or
appropriate foam.
SPECIAL RISKS
Specific Hazard(s): Emits toxic fumes under fire conditions.
SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS
Wear self-contained breathing apparatus and protective clothing
to prevent contact with skin and eyes.

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6 - Accidental Release Measures

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PROCEDURE(S) OF PERSONAL PRECAUTION(S)
Wear respirator, chemical safety goggles, rubber boots, and
heavy rubber gloves.
METHODS FOR CLEANING UP
Absorb on sand or vermiculite and place in closed containers for
disposal. Ventilate area and wash spill site after material
pickup is complete.

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7 - Handling and Storage

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HANDLING
Directions for Safe Handling: Do not breathe vapor. Avoid
contact with eyes, skin, and clothing. Avoid prolonged or
repeated exposure.

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8 - Exposure Controls / Personal Protection

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ENGINEERING CONTROLS
Mechanical exhaust required. Safety shower and eye bath.
GENERAL HYGIENE MEASURES
Wash thoroughly after handling.
PERSONAL PROTECTIVE EQUIPMENT
Respiratory Protection: Use respirators and components tested and
approved under appropriate government standards such as NIOSH (US)
or CEN (EU). Where risk assessment shows air-purifying respirators
are appropriate use a full-face respirator with multi-purpose
combination (US) or type ABEK (EN 14387) respirator cartridges as
a backup to engineering controls. If the respirator is the sole
means of protection, use a full-face supplied air respirator.
Hand Protection: Compatible chemical-resistant gloves.
Eye Protection: Chemical safety goggles.

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9 - Physical and Chemical Properties

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Appearance Physical State: Liquid
Property Value At Temperature or Pressure
pH N/A
BP/BP Range N/A
MP/MP Range N/A
Flash Point N/A
Flammability N/A
Autoignition Temp N/A
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Oxidizing Properties N/A
Explosive Properties N/A
Explosion Limits N/A
Vapor Pressure N/A
Partition Coefficient Log Kow: - 0,904.
Viscosity N/A
Vapor Density N/A
Saturated Vapor Conc. N/A
Evaporation Rate N/A
Bulk Density N/A
Decomposition Temp. N/A
Solvent Content N/A
Water Content N/A
Surface Tension N/A
Conductivity N/A
Miscellaneous Data N/A
Solubility N/A

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10 - Stability and Reactivity

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STABILITY
Stable: Stable.
Materials to Avoid: Strong oxidizing agents.
HAZARDOUS DECOMPOSITION PRODUCTS
Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide,
Nitrogen oxides, Silicon oxide.
HAZARDOUS POLYMERIZATION
Hazardous Polymerization: Will not occur

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11 - Toxicological Information

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SIGNS AND SYMPTOMS OF EXPOSURE
To the best of our knowledge, the chemical, physical, and
toxicological properties have not been thoroughly investigated.
ROUTE OF EXPOSURE
Skin Contact: Causes skin irritation.
Skin Absorption: May be harmful if absorbed through the skin.
Eye Contact: Causes severe eye irritation.
Inhalation: Material is irritating to mucous membranes and upper
respiratory tract. May be harmful if inhaled.
Ingestion: May be harmful if swallowed.

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12 - Ecological Information

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No data available.

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13 - Disposal Considerations

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SUBSTANCE DISPOSAL
Contact a licensed professional waste disposal service to dispose
of this material. Dissolve or mix the material with a combustible
solvent and burn in a chemical incinerator equipped with an
afterburner and scrubber. Observe all federal, state, and local
environmental regulations.

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14 - Transport Information

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ALDRICH www.molbase.com
RID/ADR
Non-hazardous for road transport.
IMDG
Non-hazardous for sea transport.
IATA
Non-hazardous for air transport.

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15 - Regulatory Information

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CLASSIFICATION AND LABELING ACCORDING TO EU DIRECTIVES
INDICATION OF DANGER: Xi
Irritant.
R-PHRASES: 37/38-41
Irritating to respiratory system and skin. Risk of serious
damage to eyes.
S-PHRASES: 26-39
In case of contact with eyes, rinse immediately with plenty of
water and seek medical advice. Wear eye/face protection.

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16 - Other Information

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WARRANTY
The above information is believed to be correct but does not
purport to be all inclusive and shall be used only as a guide. The
information in this document is based on the present state of our
knowledge and is applicable to the product with regard to
appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Inc.,
shall not be held liable for any damage resulting from handling or
from contact with the above product. See reverse side of invoice
or packing slip for additional terms and conditions of sale.
Copyright 2010 Co. License granted to make
unlimitedpaper copies for internal use only.
DISCLAIMER
For R&D use only. Not for drug, household or other uses.
ALDRICH www.molbase.com

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  3-氰基丙基三甲氧基硅烷 在 ammonium hydrogen difluoride 作用下， 以 水 为溶剂， 生成 C₄H₆F₄NSi^(1-)*H₃N*H⁽¹⁺⁾
  参考文献：
  名称：

  实用且可扩展的长凳稳定型有机氟硅酸盐的合成

  摘要：

  在过去的几十年中，硅烷作为合成工具已经取得了巨大的成功。在许多使用硅烷的反应中，提出了五配位硅酸盐作为反应性中间体。尽管如此，还没有通用的方法来合成五配位的氟硅酸盐并将其用作试剂来代替有机或烷氧基硅烷。在此，我们报道了有机四氟硅酸盐的首次实用合成。该方法耐受包括亲电子体在内的许多不同的官能团，其中氟化物优先攻击硅烷而不是亲电子体。即使在摩尔规模下，这种转化也通常是高产率的。此外，我们证明有机四氟硅酸盐比相应的三烷氧基硅烷更具反应性，并且在溶剂分解条件下更稳定。有机四氟硅酸盐可用作各种偶联反应，氧化和自由基反应的底物。总体而言，有机四氟硅酸盐代表了一个新的平台，可在此平台上进行具有挑战性的转型。

  DOI：

  10.1039/d0cc05400c
• 作为产物：
  描述：

  benzylsilane 在 氢氧化钾 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 3-氰基丙基三甲氧基硅烷
  参考文献：
  名称：

  Mileshkevich,V.P.; Novikova,N.F., Journal of general chemistry of the USSR, 1978, vol. 48, p. 1022 - 1025

  摘要：

  DOI：

文献信息

• [EN] NEW MACROCYCLIC LRRK2 KINASE INHIBITORS<br/>[FR] NOUVEAUX INHIBITEURS MACROCYCLIQUES DE LA LRRK2 KINASE
  申请人：SERVIER LAB

  公开号：WO2021224320A1

  公开（公告）日：2021-11-11

  Compounds of formula (I): wherein R, X1, X2, X3, Z1, Z2, Z3, A and Ra are as defined in the description. Medicaments.

  式(I)的化合物：其中R、X1、X2、X3、Z1、Z2、Z3、A和Ra的定义如描述中所述。药物。
• Method and apparatus for the preparation of cyanoalkyl-alkoxysilanes
  申请人：Huels Troisdorf AG

  公开号：US04876337A1

  公开（公告）日：1989-10-24

  In a method of preparing cyanoalkyl-akoxysilanes, which is suitable for the production of these silanes on a large technical scale, the reaction of a chloroalkyl-alkoxysilane with an alkali metal cyanide in the presence of a solvent takes place in a stirring reactor which is provided with means for loading these starting materials and with an outlet opening for the alkali metal chloride by-product, and which is connected through a bypass valve to a column with a superimposed condenser. After the reaction in the reactor has ended, first the solvent is distilled out through the column and then the main part of the cyanosilane, and then the rest of the cyanosilane is distilled out while bypassing the column. The alkali metal chloride is then removed from the reactor through a lock.

  一种制备氰基烷基烷氧基硅烷的方法，适用于大规模技术生产这些硅烷，即在溶剂存在下，氯烷基烷氧基硅烷与碱金属氰化物反应，在带有装载这些原料的手段和碱金属氯化物副产物的出口开口的搅拌反应器中进行，该反应器通过旁通阀门连接到具有叠加冷凝器的柱中。在反应器中的反应结束后，首先通过柱蒸馏出溶剂，然后蒸馏出主要部分的氰硅烷，然后通过旁路绕过柱蒸馏出剩余的氰硅烷。然后通过锁将碱金属氯化物从反应器中移除。
• Process for producing surface-sealed hollow glass containers having a high use strength
  申请人：Degussa AG

  公开号：US06403175B1

  公开（公告）日：2002-06-11

  A process for producing surface-sealed hollow glass containers, the hollow glass containers are, in the production process in the region of the exit from the annealing lehr which is located downstream of a machine for producing hollow glass containers, coated by means of a water-based cold end coating composition comprising at least the following components: I. a trialkoxysilane, a dialkoxysilane and/or a tetralkoxysilane or their hydrolysis and/or condensation products and also II. a water-soluble or water-dispersible mixture of a polyol and a crosslinker, wherein the applied layer of the cold end coating composition is subsequently subjected to a crosslinking step. The hollow glass containers produced in this way have an improved strength.

  一种生产表面密封中空玻璃容器的方法，该方法中空玻璃容器，在生产过程中，位于制造中空玻璃容器的机器下游的退火炉出口区域，通过使用水基冷端涂层组合物进行涂层，该组合物包括至少以下组分：I. 三烷氧基硅烷、二烷氧基硅烷和/或四烷氧基硅烷或其水解和/或缩合产物；以及II. 一种水溶性或水分散性的聚醇和交联剂混合物，其中，应用的冷端涂层组合物层随后经过交联步骤。以这种方式生产的中空玻璃容器具有更好的强度。
• A Novel Tin-Free Procedure for Alkyl Radical Reactions
  作者：Luisa Benati、Rino Leardini、Matteo Minozzi、Daniele Nanni、Rosanna Scialpi、Piero Spagnolo、Samantha Strazzari、Giuseppe Zanardi

  DOI：10.1002/anie.200454245

  日期：2004.7.5