(3-氰丙基)三氯硅烷 | 1071-27-8

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 环烃
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: (3-氰丙基)三氯硅烷
• 中文别名: 3-环丙基三氯硅烷；3-氰丙基三氯硅烷；3-氰基丙基三氯硅烷
• 英文名称: 4-(trichlorosilyl)butanenitrile
• 英文别名: cyanopropyltrichlorosilane；4-trichlorosilanyl-butyronitrile；4-Trichlorsilyl-butyronitril；4-(trichlorosilyl)butyronitrile；3-cyanopropyltrichlorosilane；4-trichlorosilylbutanenitrile
• CAS: 1071-27-8
• 化学式: C₄H₆Cl₃NSi
• mdl: MFCD00013832
• 分子量: 202.543
• InChiKey: HMFFOEBLYHLRQN-UHFFFAOYSA-N

物化性质

• 沸点：
  237-238 °C (lit.)
• 密度：
  1.3 g/mL at 25 °C (lit.)
• 闪点：
  198 °F
• 稳定性/保质期：
  在常温常压下稳定，应避免与氧化物、碱、胺、酒精、活性金属以及水分直接接触。

计算性质

• 辛醇/水分配系数(LogP)：
  1.74
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• TSCA：
  Yes
• 危险等级：
  8
• 危险品标志：
  C
• 安全说明：
  S26,S36/37/39,S45
• 危险类别码：
  R14
• WGK Germany：
  2
• 海关编码：
  2931900090
• 危险品运输编号：
  UN 2987 8/PG 2
• RTECS号：
  VV2775000
• 包装等级：
  II
• 危险类别：
  8
• 危险标志：
  GHS05,GHS07
• 危险性描述：
  H314,H335
• 危险性防范说明：
  P261,P280,P305 + P351 + P338,P310
• 储存条件：
  储存于干燥的惰性气体中，并确保容器密封良好。将其存放在阴凉、干燥处。

SDS

Name:	(3-Cyanopropyl)trichlorosilane 99+% Material Safety Data Sheet
Synonym:	Butanenitrile, 4-(Trichlorosilyl)-; Silane, Trichloro(3-Cyanopropyl)-
CAS:	1071-27-8

Section 1 - Chemical Product MSDS Name:(3-Cyanopropyl)trichlorosilane 99+% Material Safety Data Sheet
Synonym:Butanenitrile, 4-(Trichlorosilyl)-; Silane, Trichloro(3-Cyanopropyl)-

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
1071-27-8	Butanenitrile, 4-(Trichlorosilyl)-	99+	213-990-6

Hazard Symbols: C
Risk Phrases: 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.Moisture sensitive.Corrosive.
Potential Health Effects
Eye:
Causes eye burns. May cause chemical conjunctivitis and corneal damage.
Skin:
Causes skin burns. May cause skin rash (in milder cases), and cold and clammy skin with cyanosis or pale color.
Ingestion:
May cause severe and permanent damage to the digestive tract. Causes gastrointestinal tract burns. May cause perforation of the digestive tract. May cause systemic effects.
Inhalation:
May cause severe irritation of the respiratory tract with sore throat, coughing, shortness of breath and delayed lung edema. Causes chemical burns to the respiratory tract. Aspiration may lead to pulmonary edema. May cause systemic effects.
Chronic:
Effects may be delayed.

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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 immediately. Immediately 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. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. 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. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Do NOT get water inside containers. 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:
Avoid runoff into storm sewers and ditches which lead to waterways.
Clean up spills immediately, observing precautions in the Protective Equipment section. Absorb spill using an absorbent, non-combustible material such as earth, sand, or vermiculite. Do not use combustible materials such as sawdust. Provide ventilation. Do not get water inside containers.

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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. Do not breathe dust, vapor, mist, or gas. Keep container tightly closed. Avoid ingestion and inhalation. Do not allow contact with water. Discard contaminated shoes. Keep from contact with moist air and steam.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Corrosives area. Store protected from moisture.

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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# 1071-27-8: United Kingdom, WEL - TWA: (listed as silica, amorphous): 6 mg/m3 (inhalable dust); 2.4 mg/m3 TWA (respirable dust) United Kingdom, WEL - STEL: (listed as silica, amorphous): 18 mg/ STEL (inhalable dust); 7.2 mg/m3 STEL (respirable dust) Russia: (listed as silica, amorphous): 1 mg/m3 TWA 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, colorless
Odor: chlorine-like
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 94 deg C @ 8.00mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 198 deg F ( 92.22 deg C)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.2800g/cm3
Molecular Formula: C4H6Cl3NSi
Molecular Weight: 202.54

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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, moisture, excess heat.
Incompatibilities with Other Materials:
Moisture, strong acids, strong bases, strong oxidizing agents, strong reducing agents.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, oxides of nitrogen, irritating and toxic fumes and gases, carbon dioxide, oxides of silicon.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 1071-27-8: VV2775000 LD50/LC50:
CAS# 1071-27-8: Oral, rat: LD50 = 2830 mg/kg.
Carcinogenicity:
Butanenitrile, 4-(Trichlorosilyl)- - 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
Shipping Name: CHLOROSILANES, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 2987
Packing Group: II
IMO
Shipping Name: CHLOROSILANES, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 2987
Packing Group: II
RID/ADR
Shipping Name: CHLOROSILANES, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 2987
Packing group: II

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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 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
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# 1071-27-8: No information available.
Canada
CAS# 1071-27-8 is listed on Canada's NDSL List.
CAS# 1071-27-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1071-27-8 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：

  (3-氰丙基)三氯硅烷 在 copper (II)-fluoride 作用下， 以 乙醚 为溶剂， 生成 3-(trifluorosilyl)butanenitrile
  参考文献：
  名称：

  烷基三氟硅烷与芳基卤化物的钯催化交叉偶联反应

  摘要：

  使用催化量的四（三苯基膦）钯 (0) 和过量的四丁基氟化铵 (TBAF) 在 100 °C 下以高化学选择性实现烷基三氟硅烷与芳基卤化物的交叉偶联反应。硝基、酮羰基和甲酰基等官能团耐受偶联条件。因为钾（18-冠-6）烷基四氟硅酸盐也在额外摩尔量的 TBAF 存在下发生交叉偶联反应，所以假设偶联反应的活性物质是五配位硅酸盐。认为需要过量的 TBAF 来捕获交叉偶联反应的催化循环中产生的四氟硅烷。

  DOI：

  10.1246/bcsj.70.437
• 作为产物：
  描述：

  烯丙基腈 在 三氯硅烷 作用下， 生成 (3-氰丙基)三氯硅烷
  参考文献：
  名称：

  γ 射线引发的反应。二、向烯烃中添加氢化硅1

  摘要：

  三氯硅烷和甲基二氯硅烷在作为引发剂的伽马射线存在下添加到某些烯烃的双键上。这些化合物包括辛烯-1、异丁烯、丁烯-2、2-甲基-2-丁烯、环戊烯、环己烯、1-甲基环己烯、烯丙基氯、乙酸烯丙酯、烯丙基氰、顺式1,2-二氯乙烯、3,3、 4,4,4-五氟-1-丁烯，2-甲基-2,3,4,4,4-五氟-1-丁烯，3,3,4,4,5,5,5-七氟-1-戊烯和2-甲基-3,3,4,4,5,5,5-七氟-1-戊烯。肉桂酸乙酯、富马酸二乙酯、茚和反式二苯乙烯不反应。苯乙烯和α-甲基苯乙烯得到高沸点硅聚合物。除了饱和单体加合物的分离外，还获得了一些高沸点烷基甲硅烷基取代的衍生物。以这种方式获得的一些加合物转化为其四烷基甲硅烷基衍生物或水解形成聚硅氧烷。水解时，5,5,4,4,5,5,5-七氟1-戊基三氯硅烷出乎意料地得到液体硅氧烷。（授权）

  DOI：

  10.1021/ja01540a058

文献信息

• Addition of Trichlorosilane to Styrene, 2 Vinylpyridine, Allylcyanide and Octene-1
  作者：Shun’ichi Nozakura

  DOI：10.1246/bcsj.29.784

  日期：1956.7

  Addition reactions of trichlorosilane to styrene, 2-vinylpyridine, allylcyanide, and octene-1 were attempted in the presence of bases such as pyridine and in the presence of tetrapyridine nickel(II) chloride. The structures of the reaction products were established. In the presence of bases, trichlorosilane was added to 2-vinylpyridine and allylcyanide, yielding 2-β-trichlorosilylethylpyridine and

  在吡啶等碱和四吡啶氯化镍 (II) 存在下，尝试了三氯硅烷与苯乙烯、2-乙烯基吡啶、烯丙基氰化物和辛烯-1 的加成反应。建立了反应产物的结构。在碱存在下，将三氯硅烷加入到 2-乙烯基吡啶和烯丙基氰化物中，分别生成 2-β-三氯甲硅烷基乙基吡啶和 β-三氯甲硅烷基丁腈。另一方面，在四吡啶氯化镍存在下，对所有检测的乙烯基化合物进行添加。(没有尝试2-乙烯基吡啶。)然而，在这种情况下，证明加成产物由两种位置异构体组成，其发生是由于加成方向不同，对于每种起始乙烯基化合物。
• [EN] FUNCTIONALIZED SILANES AND ELECTROLYTE COMPOSITIONS AND ELECTROCHEMICAL DEVICES CONTAINING THEM<br/>[FR] SILANES FONCTIONNALISÉS ET COMPOSITIONS D'ÉLECTROLYTES ET DISPOSITIFS ÉLECTROCHIMIQUES LES CONTENANT
  申请人：SILATRONIX INC

  公开号：WO2016054621A1

  公开（公告）日：2016-04-07

  Described are compounds of the structure R4-a-Si-(Sp-Y)a-Zb, wherein "a" is integer from 1 to 4; "b" is an integer from 0 to (3 x a); "Z," which is absent when "b "R" or formula (II), wherein each "R" is halogen, C1-6 linear or branched alkyl, alkenyl, or alkynyl or C1-6 linear or branched halo-alkyl, halo-alkenyl, or halo-alkynyl; each "Sp" C1-15 linear or branched alkylenyl or CMS linear or branched halo-alkylenyl; and each "Y" an organic polar group. Also described are electrolyte compositions containing one or more of these compounds.

  描述了具有结构R4-a-Si-(Sp-Y)a-Zb的化合物，其中"a"是从1到4的整数；"b"是从0到(3 x a)的整数；"Z"在"b"小于等于(3 x a)时存在，"R"或者公式(II)中不存在，其中每个"R"是卤素，C1-6直链或支链烷基，烯基，或炔基或C1-6直链或支链卤代烷基，卤代烯基，或卤代炔基；每个"Sp"是C1-15直链或支链烷基亚基或CMS直链或支链卤代烷基亚基；每个"Y"是有机极性基团。还描述了含有这些化合物中的一个或多个的电解质组合物。
• Reaction of the SiCl bond with trialkyl orthoformates preparation of alkoxy-substituted silanes
  作者：U Herzog、N Schulze、K Trommer、G Roewer

  DOI：10.1016/s0022-328x(97)00204-0

  日期：1997.11

  Trialkyl orthoformates in the presence of aluminium chloride represent quite useful reagents to generate silicon alkoxides from chlorosilanes. 3-Cyanopropyltrichlorosilane and 2-[(2-trichlorosily)ethyl]-pyridine give the triethoxy compounds 3-cyanopropyltriethoxysilane and 2-[(2-triethoxysilyl)ethyl]-pyridine respectively. Via this route, in methylchlorooligosilanes a partial or complete exchange of

  在氯化铝存在下的原甲酸三烷基酯代表了非常有用的试剂，可以从氯硅烷生成烷氧基硅。3-氰丙基三氯硅烷和2-[（（2-三氯甲硅烷基）乙基]-吡啶分别得到三乙氧基化合物3-氰基丙基三乙氧基硅烷和2-[（2-三乙氧基甲硅烷基）乙基]-吡啶。通过这种途径，在甲基氯代低聚硅烷中，取决于硅烷∶HC （OR）3的起始摩尔比（RMe，Et），发生氯取代基对烷氧基的部分或完全交换。在形成SiMe（OR）2基之前，SiCl 2 Me基首先与SiClMe（OR）反应。（Si）2 SiClMe单元不受HC（OR）3的影响。
• Fialova,V. et al., Collection of Czechoslovak Chemical Communications, 1973, vol. 38, p. 3837 - 3844
  作者：Fialova,V. et al.

  DOI：——

  日期：——
• Addition of alkoxysila nehydrides to unsaturated nitriles and hydrogenation of the ?-cyanoalkylalkoxysilanes obtained
  作者：V. M. Vdovin、R. Sultanov、T. A. Sladkova、L. Kh. Freidlin、A. D. Petrov

  DOI：10.1007/bf01184726

  日期：1961.11

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