3-二乙氨基丙腈 | 5351-04-2

• 物质功能分类: 化学试剂 - 有机试剂 - 氰化物/腈
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 3-二乙氨基丙腈
• 中文别名: N-(2-氰乙基)二乙胺
• 英文名称: 3-diethylaminopropionitrile
• 英文别名: 3-(N,N-diethylamino)-propionitrile；3-(diethylamino)propanenitrile；Diethylamino-propionitril；3-Diethylamino-propionsaeurenitril；N-(2-Cyanoethyl)diethylamine
• CAS: 5351-04-2
• 化学式: C₇H₁₄N₂
• mdl: MFCD00013820
• 分子量: 126.202
• InChiKey: LFFKXGFSDGRFQA-UHFFFAOYSA-N

物化性质

• 熔点：
  -64 °C
• 沸点：
  197 °C
• 密度：
  0.86
• 闪点：
  79 °C
• 稳定性/保质期：

  在常温常压下保持稳定

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.857
• 拓扑面积：
  27
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi,Xn
• 安全说明：
  S24/25
• 危险类别码：
  R36/37/38
• 海关编码：
  2926909090
• 储存条件：
  请将药品存放在避光、阴凉且干燥的地方，并密封保存。

SDS

Name:	3-(Diethylamino)propionitrile 98% Material Safety Data Sheet
Synonym:	None known
CAS:	5351-04-2

Section 1 - Chemical Product MSDS Name:3-(Diethylamino)propionitrile 98% Material Safety Data Sheet
Synonym:None known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
5351-04-2	3-(Diethylamino)propionitrile	98	226-323-9

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.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis and corneal damage.
Skin:
Causes skin irritation. May cause irritation and dermatitis. May cause cyanosis of the extremities.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Aspiration may lead to pulmonary edema. Can produce delayed pulmonary edema. Inhalation at high concentrations may cause CNS depression and asphixiation.
Chronic:
Effects may be delayed.

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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. Wash clothing before reuse.
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.
Notes to Physician:
Treat symptomatically and supportively.

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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. Water may be ineffective.
Material is lighter than water and a fire may be spread by the use of water. Combustible liquid. 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 water spray to cool fire-exposed containers. Use agent most appropriate to extinguish fire. 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. Remove all sources of ignition. Use a spark-proof tool. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Keep away from heat, sparks and flame. Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.
Storage:
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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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# 5351-04-2: 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: light yellow
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 197 deg C @ 760.00mm Hg
Freezing/Melting Point: -64 deg C
Autoignition Temperature: 285 deg C ( 545.00 deg F)
Flash Point: 79 deg C ( 174.20 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: .8650g/cm3
Molecular Formula: C7H14N2
Molecular Weight: 126.20

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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, ignition sources, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 5351-04-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-(Diethylamino)propionitrile - 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
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 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# 5351-04-2: 2
Canada
CAS# 5351-04-2 is listed on Canada's NDSL List.
CAS# 5351-04-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 5351-04-2 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：

  3-二乙氨基丙腈 在 乙醇 、 硫化氢 、 二乙胺 作用下， 生成 1,7-dithio-4-thia-heptanedioic acid diamide
  参考文献：
  名称：

  β,β'-Di-(2-thiazolyl)-diethyl Sulfides

  摘要：

  DOI：

  10.1021/ja01137a516
• 作为产物：
  描述：

  diethylaminopropionitrile-sulfur dioxide adduct 在 sodium hydroxide 作用下， 以 乙醚 、 水 为溶剂， 生成 3-二乙氨基丙腈
  参考文献：
  名称：

  Bodrikov, I. V.; Krasnov, V. L.; Samodurov, I. N., Journal of Organic Chemistry USSR (English Translation), 1985, vol. 21, # 5, p. 923 - 928

  摘要：

  DOI：

文献信息

• Palladium nanocatalysts in glycerol: Tuning the reactivity by effect of the stabilizer
  作者：Antonio Reina、Alejandro Serrano-Maldonado、Emmanuelle Teuma、Erika Martin、Montserrat Gómez

  DOI：10.1016/j.catcom.2017.10.004

  日期：2018.1

  Palladium nanoparticles (PdNPs) prepared in neat glycerol containing TPPTS (tris(3-sulfophenyl)phosphine trisodium salt) or cinchona-based alkaloids (cinchonidine, quinidine) as capping agents, were applied as catalysts in fluoride-free Hiyama couplings and conjugate additions with the aim of evaluating the influence of the stabilizer in the catalytic reactivity. Therefore, PdNPs stabilized by phosphine

  在含TPTPS（三（3-磺苯基）膦三钠盐）或基于金鸡纳生物碱（金鸡尼丁，奎尼丁）的纯甘油中制备的钯纳米颗粒（PdNPs）用作无氟Hiyama偶联和共轭加成的催化剂目的在于评估稳定剂对催化反应性的影响。因此，用膦稳定的PdNPs有利于C C交叉偶联，而那些含有生物碱的PdNPs对C C均偶联和偶联物添加的适应性增强。金属/稳定剂配位模式，即Pd喹啉部分与钯表面之间的P键键和π-π相互作用对于稳定不同的活性金属并促进独特的催化途径至关重要。
• Crown Ether Complex Cation Ionic Liquids: Preparation and Applications in Organic Reactions
  作者：Yingying Song、Huanwang Jing、Bo Li、Dongsheng Bai

  DOI：10.1002/chem.201100112

  日期：2011.7.25

  cation ionic liquids (CECILs) were designed, synthesised and characterised by NMR spectroscopy, HRMS, thermogravimetric differential thermal analysis (TG‐DTA) and elemental analysis. Their applications in various organic reactions were investigated: [15‐C‐5Na][OH], [15‐C‐5Na][OAc], [18‐C‐6K][OH] and [18‐C‐6K][OAc] (15‐C‐5=[15]crown‐5; 18‐C‐6=[18]crown‐6) efficiently catalysed the Michael addition of alkenes

  设计，合成了一系列冠醚络合阳离子液体（CECIL），并通过NMR光谱，HRMS，热重差热分析（​​TG-DTA）和元素分析对其进行了表征。研究了它们在各种有机反应中的应用：[15-C-5Na] [OH]，[15-C-5Na] [OAc]，[18-C-6K] [OH]和[18-C-6K] [ OAc]（15‐C‐5 = [15] crown‐5； 18‐C‐6 = [18] crown‐6）有效催化烯烃和相关亲核试剂的迈克尔加成；[18-C-6K] [OH]和[15-C-5Na] [OH]有效催化硝基甲烷和芳香醛的亨利反应；[18-C-6K] [OH]对芳族醛和丙二腈的Knoevenagel缩合反应具有出色的催化效率；PdCl 2 / [18‐C‐6K] 3 [PO 4 ] / K 2 CO 3有效地催化了烯烃和芳族卤化物的HECk反应；[18-C-6K] [BrO 3 ]在芳族醇的氧化反应
• Highly efficient reduction of carbonyls, azides, and benzyl halides by NaBH₄ in water catalyzed by PANF-immobilized quaternary ammonium salts
  作者：Jianguo Du、Gang Xu、Huikun Lin、Guangwei Wang、Minli Tao、Wenqin Zhang

  DOI：10.1039/c5gc02621k

  日期：——

  A series of polyacrylonitrile fiber-supported quaternary ammonium salts (PANF-QAS) were prepared and applied to the catalytic reduction of aldehydes, ketones, azides, and benzyl halides in water with NaBH4 as reducing...

  制备了一系列聚丙烯腈纤维负载的季铵盐（PANF-QAS），并将其用于以NaBH4作为还原剂催化还原水中的醛，酮，叠氮化物和苄基卤化物。
• Palladium-Catalyzed C–N Bond Activation: The Synthesis of β-Amino Acid Derivatives from Triethylamine and Acrylates
  作者：Bo Zou、Huan-Feng Jiang、Zhao-Yang Wang

  DOI：10.1002/ejoc.200700369

  日期：2007.9

  In the palladium-catalyzed reaction of acrylates, C–N bond activation and acetalization occurred under different conditions. Described herein is a highly efficient palladium-catalyzed C–N bond activation reaction and subsequent new C–N bond formation to directly construct β-amino acids from triethylamine and acrylate esters in isolated yields of up to 95 %.(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451

  在钯催化的丙烯酸酯反应中，C-N 键活化和缩醛化在不同条件下发生。本文描述了一种高效的钯催化 C-N 键活化反应和随后的新 C-N 键形成，以高达 95% 的分离产率直接从三乙胺和丙烯酸酯构建 β-氨基酸。 (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)
• Novel sulfonyldiazomethanes, photoacid generators, resist compositions, and patterning process
  申请人：——

  公开号：US20040167322A1

  公开（公告）日：2004-08-26

  A chemical amplification type resist composition comprising a specific benzenesulfonyldiazomethane containing a long-chain alkoxyl group at the 2-position on benzene ring has many advantages including improved resolution, improved focus latitude, minimized line width variation or shape degradation even on long-term PED, minimized debris left after coating, development and peeling, and improved pattern profile after development and is thus suited for microfabrication.

  一种化学放大型抗蚀组合物，包括在苯环上的2-位含有长链烷氧基基团的特定苯磺酰二氮甲烷，具有许多优点，包括提高分辨率，改善焦点宽度，即使在长期PED上也减少线宽变化或形状退化，涂层、显影和剥离后减少残留物，并在显影后改善图案轮廓，因此适用于微加工。

表征谱图