1,2,3-三(2-氰氧基)丙烷 | 2465-93-2

• 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 - 脂质和类脂质分子 - 甘油脂
• 中文名称: 1,2,3-三(2-氰氧基)丙烷
• 中文别名: 1,2,3-三(2-氰乙氧基)丙烷；1,2,3-三-(2-氰乙氧基)丙烷；三(2-氰基乙氧基)丙烷
• 英文名称: 1,2,3-tris(2-cyanoethoxy)propane
• 英文别名: 1,2,3-tri(cyanoethoxy)propane；1,2,3-tris-(2-cyanethoxy)-propan；3-[2,3-bis(2-cyanoethoxy)propoxy]propanenitrile
• CAS: 2465-93-2
• 化学式: C₁₂H₁₇N₃O₃
• 分子量: 251.285
• InChiKey: ALGVJKNIAOBBBJ-UHFFFAOYSA-N

物化性质

• 沸点：
  394.44°C (rough estimate)
• 密度：
  1.11
• 闪点：
  >93.33 °C
• 稳定性/保质期：
  在常温常压下保持稳定，应避免与氧化物接触。

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  18
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  99.1
• 氢给体数：
  0
• 氢受体数：
  6

ADMET

毒理性

• 副作用

其他毒物 - 化学窒息剂

Other Poison - Chemical Asphyxiant

来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

安全信息

• TSCA：
  Yes
• 危险等级：
  6.1
• 安全说明：
  S24/25
• 包装等级：
  II
• 危险类别：
  6.1
• 危险品运输编号：
  UN3276
• 危险性防范说明：
  P264,P270,P280,P301+P310+P330,P302+P352+P332+P313+P362+P364,P305+P351+P338+P337+P313,P405,P501
• 危险性描述：
  H301,H315,H319
• 储存条件：
  请将容器密封，然后放入一个紧密封装的容器中，并储存在阴凉、干燥的地方。

SDS

Name:	1 2 3-tris(2-cyanoethoxy)propane Material Safety Data Sheet
Synonym:	3,3',3"-Propane-1,2,3-triyltrioxytripropiononitrile; 3,3',3"-[1,2,3-propanetriyltris(oxy)]tris
CAS:	2465-93-2

Section 1 - Chemical Product MSDS Name:1 2 3-tris(2-cyanoethoxy)propane Material Safety Data Sheet
Synonym:3,3',3"-Propane-1,2,3-triyltrioxytripropiononitrile; 3,3',3"-[1,2,3-propanetriyltris(oxy)]tris

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
2465-93-2	Propanenitrile,3,3',3''-1,2,3-propanet	ca. 100	219-573-5

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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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.
Get medical aid immediately.
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. Remove contaminated clothing and shoes.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid. Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Get medical aid immediately. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
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:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. 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. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. 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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 2465-93-2: 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:
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: Not available.
Color: Not available.
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: > 93 deg C (> 199.40 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.1100g/cm3
Molecular Formula: C12H17N3O3
Molecular Weight: 251.29

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 2465-93-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Propanenitrile,3,3',3''-1,2,3-propanetriyltris(oxy) - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION
Other No information available.

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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: Not available.
Risk Phrases:
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# 2465-93-2: No information available.
Canada
CAS# 2465-93-2 is listed on Canada's NDSL List.
CAS# 2465-93-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2465-93-2 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

1,2,3-三(2-氰氧基)丙烷是一种烷烃类有机化合物，可用作有机试剂。

反应信息

• 作为反应物：
  描述：

  1,2,3-三(2-氰氧基)丙烷 在 ammonium hydroxide 、 氢气 作用下， 以 甲醇 为溶剂， 25.0 ℃ 、10.0 MPa 条件下， 反应 16.0h， 生成 3-[2,3-Bis(3-aminopropoxy)propoxy]propan-1-amine
  参考文献：
  名称：

  (甲基)丙烯酰胺化合物的前体

  摘要：

  式(1)所示的化合物：式(1)其中在式(1)中，Z代表通过从多元醇的羟基中除去n个氢原子而获得的残基；n代表3‑6的整数；R1代表氢原子或者甲基；R2代表具有1‑8个碳原子的亚烷基；X1代表卤素原子；和多个R1、R2和X1可以彼此相同或者不同。

  公开号：

  CN103319362B
• 作为产物：
  描述：

  丙烯腈 、 甘油 在 sodium hydroxide 作用下， 反应 6.0h， 生成 1,2,3-三(2-氰氧基)丙烷
  参考文献：
  名称：

  Free-solvent Michael addition of glycerol to acrylic compounds

  摘要：

  生物基甘油通过丙烯酸类化合物的官能化被优化，三氰乙基甘油可以作为树状聚合物的前手手性核心。

  DOI：

  10.1039/c5nj02223a
• 作为试剂：
  描述：

  4-(dimethoxymethyl)-2,2-dimethylthiazolidine 、 2-氰基-6-羟基苯并噻唑 在 1,2,3-三(2-氰氧基)丙烷 、 碳酸氢钠 、 sodium carbonate 作用下， 以 甲醇 为溶剂， 反应 74.0h， 生成 2-(4-(dimethoxymethyl)-4,5-dihydrothiazol-2-yl)benzo[d]thiazol-6-ol
  参考文献：
  名称：

  [EN] LUMINOGENIC COMPOUNDS AND METHODS TO DETECT CYTOCHROME P450 3A ENZYMES
  [FR] COMPOSÉS LUMINOGÈNES ET PROCÉDÉS DE DÉTECTION DES ENZYMES 3A DU CYTOCHROME P450

  摘要：

  本发明提供了路西非因的缩醛衍生物以及使用这些衍生物的方法，其中路西非因衍生物作为所需酶的底物，是路西非酶的前体（一种前路西非因）。因此，通过提供具有特定酶识别位点的路西非因衍生物，用于所需的非路西非酶（分子中的反应性化学基团，作为酶的底物）的酶活性测定，这些衍生物与路西非因骨架（或构成路西非酶适合底物的其他化学基团）耦合，例如，在D-路西非因或氨基路西非因的羧基上进行修饰以及可选的其他修饰，非路西非酶酶可以在生物发光测定中测量。

  公开号：

  WO2010021686A1

文献信息

• Two solvent-stable MOFs as a recyclable luminescent probe for detecting dichromate or chromate anions
  作者：Chun-Shuai Cao、Huan-Cheng Hu、Hang Xu、Wan-Zhen Qiao、Bin Zhao

  DOI：10.1039/c5ce02568k

  日期：——

  Two unique 2D Zn-MOFs with the formulas [Zn(btz)]n} (1) and [Zn2(ttz)H2O]n} (2) were synthesized using in situ generated ligands under hydro(solvo)thermal conditions. Both 1 and 2 exhibit high thermo-stability, solvent-stability and pH-stability. Thermogravimetric analyses (TGA) reveal that 1 and 2 remain intact until about 365 °C and 332 °C, respectively. The samples of 1 and 2 were immersed in twelve common solvents for 24 hours, and the obtained PXRD patterns remain well consistent with the simulated ones. They were immersed in a series of solutions with pH values ranging from 1.0 to 14.0 for five hours, and the PXRD patterns of these samples remain unchanged spanning the pH range of 1–13. The luminescence investigations reveal that the compounds 1 and 2 can efficiently and selectively detect Cr2O72− or CrO42− among twenty-one anions. Importantly, they can be regenerated by a fast and simple method in detecting Cr2O72− or CrO42−.

  在水（溶）热条件下，利用原位生成的配体合成了两种独特的二维锌-MOFs，其化学式分别为[Zn(btz)]n}（1）和[Zn2(ttz)H2O]n}（2）。1 和 2 均表现出较高的热稳定性、溶剂稳定性和 pH 稳定性。热重分析（TGA）显示，1 和 2 分别在大约 365 °C 和 332 °C 的温度下保持不变。将 1 号和 2 号样品在 12 种常见溶剂中浸泡 24 小时，得到的 PXRD 图样与模拟图样完全一致。它们在一系列 pH 值为 1.0 至 14.0 的溶液中浸泡了 5 个小时，这些样品的 PXRD 图样在 pH 值为 1-13 的范围内保持不变。发光研究表明，化合物 1 和 2 可以在 21 种阴离子中高效、选择性地检测 Cr2O72- 或 CrO42-。重要的是，在检测 Cr2O72- 或 CrO42- 时，它们可以通过一种快速而简单的方法再生。
• NONAQUEOUS ELECTROLYTE SOLUTION AND ENERGY DEVICE USING SAME
  申请人：MITSUBISHI CHEMICAL CORPORATION

  公开号：US20200274199A1

  公开（公告）日：2020-08-27

  The present invention provides an energy device having excellent properties. Also provided is a nonaqueous electrolyte solution containing a compound represented by the following Formula (1), wherein R 11 , R 12 and R 13 each independently represent an organic group having 1 to 3 carbon atoms; and R 11 and R 12 , R 11 and R 13 , or R 12 and R 13 are optionally bound with each other to form a 5-membered ring or a 6-membered ring, with a proviso that a total number of carbon atoms of R 11 , R 12 and R 13 is 7 or less.

  本发明提供了一种具有优异性能的能源装置。同时还提供了一种非水电解质溶液，其中包含由以下式（1）表示的化合物，其中R11、R12和R13各自独立地表示具有1到3个碳原子的有机基团；且R11和R12、R11和R13或R12和R13可以选择地相互结合形成一个5元环或6元环，条件是R11、R12和R13的总碳原子数不超过7。
• NOVEL NITRILE AND AMIDOXIME COMPOUNDS AND METHODS OF PREPARATION FOR SEMICONDUCTOR PROCESSING
  申请人：Lee Wai Mun

  公开号：US20110065622A1

  公开（公告）日：2011-03-17

  Semiconductor processing compositions comprising amidoxime compounds having two or more amidoxime functional groups and their use in semiconductor processing to remove photoresist, polymeric materials, etching residues and copper oxides from semiconductor substrates, particularly substrates comprising copper, low-k dielectric material, titanium nitride, and/or titanium oxynitride.

  半导体加工组合物包括具有两个或更多酰胺肟官能团的酰胺肟化合物，以及它们在半导体加工中的使用，以从半导体基板中去除光刻胶、聚合物材料、蚀刻残留物和氧化铜，特别是包括铜、低k介电材料、氮化钛和/或氧氮化钛的基板。
• Non-Aqueous Electrolyte Solution For Lithium Secondary Battery And Lithium Secondary Battery Comprising The Same
  申请人：LG CHEM, LTD.

  公开号：US20130316252A1

  公开（公告）日：2013-11-28

  A method of preparing a tricyanoalkoxy alkane compound is disclosed. The tricyanoalkoxy alkane compound is prepared by reacting an alcohol compound including at least three hydroxyl groups and a nitrile compound in the presence of a potassium alkoxide catalyst. A non-aqueous electrolyte solution comprising the tricyanoalkoxy alkane compound and a lithium secondary battery also are disclosed. The swelling of the battery may be prevented.

  公开了一种制备三氰基烷氧基烷化合物的方法。该三氰基烷氧基烷化合物是通过在钾醇催化剂的存在下反应至少包含三个羟基的醇化合物和腈化合物而制备的。还公开了一种包括三氰基烷氧基烷化合物和锂二次电池的非水电解质溶液。可以防止电池的膨胀。
• ELECTROLYTE, AND ELECTROCHEMICAL DEVICE AND ELECTRONIC DEVICE COMPRISING THE SAME
  申请人：Ningde Amperex Technology Limited

  公开号：US20220052382A1

  公开（公告）日：2022-02-17

  An electrolyte including at least a compound of formula I: A 1 , A 2 , and A 3 are each independently selected from the following formulas I-A, I-B, I-C, or I-D, and the A 1 , A 2 , and A 3 are not all I-A: m and k are 0 or 1, and n is integer from 1 to 6. R 11 , R 13 , R 14 , R 15 , R 16 , R 17 , R 18 , R 19 , R 1a , R 1b , R 1c , and R 1d are selected from hydrogen; substituted or unsubstituted C 1 -C 10 alkylidene groups, C 2 -C 10 alkenylene groups, C 2 -C 10 alkynylidene groups, C 3 -C 10 cumulative dienyl groups, C 6 -C 10 aryl groups, or C 3 -C 10 alicyclic hydrocarbon groups. R 12 is selected from substituted or unsubstituted C 1 -C 10 alkyl groups, C 2 -C 10 alkenyl groups, C 2 -C 10 alkynyl groups, C 3 -C 10 cumulative dienyl groups, C 6 -C 10 aryl groups, C 3 -C 10 alicyclic hydrocarbon groups, or heteroatom-containing functional groups.

  电解质包括至少一个化合物I的公式：A1，A2和A3分别独立地选择以下公式I-A、I-B、I-C或I-D中的一个，且A1、A2和A3不全为I-A：m和k为0或1，n为1至6的整数。R11、R13、R14、R15、R16、R17、R18、R19、R1a、R1b、R1c和R1d从氢、取代或未取代的C1-C10烷基亚基、C2-C10烯基亚基、C2-C10炔基亚基、C3-C10累积二烯基、C6-C10芳基或C3-C10萜烷基中选择。R12从取代或未取代的C1-C10烷基、C2-C10烯基、C2-C10炔基、C3-C10累积二烯基、C6-C10芳基、C3-C10萜烷基或含杂原子的功能基团中选择。

表征谱图