2,4-二氰基-3-甲基戊二酰胺 | 5447-66-5

• 物质功能分类: 有机原料 - 氨基化合物 - 酰胺类化合物
• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 2,4-二氰基-3-甲基戊二酰胺
• 英文名称: 2,4-dicyano-3-methyl-glutaric acid diamide
• 英文别名: 2,4-Dicyan-3-methyl-glutarsaeure-diamid；2,4-dicyano-3-methylglutaramide；α,α'-Dicyan-β-methyl-glutarsaeurediamid；2,4-dicyano-3-methylpentanediamide
• CAS: 5447-66-5
• 化学式: C₈H₁₀N₄O₂
• mdl: MFCD00008014
• 分子量: 194.193
• InChiKey: XLQBCZSOEGHLAA-UHFFFAOYSA-N

物化性质

• 熔点：
  159-160 °C(lit.)
• 沸点：
  330.63°C (rough estimate)
• 密度：
  1.3003 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.3
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  134
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险等级：
  6.1(b)
• 安全说明：
  S24/25
• 危险类别码：
  R23/24,R33
• 海关编码：
  2926909090
• 包装等级：
  III
• 危险类别：
  6.1(b)
• 危险品运输编号：
  UN 3439 6.1/PG 2

SDS

Name:	2 4-Dicyano-3-Methylglutaramide 99% Material Safety Data Sheet
Synonym:	Alpha, Gamma-Dicyano-Beta-Methyl Glutaramide
CAS:	5447-66-5

Section 1 - Chemical Product MSDS Name:2 4-Dicyano-3-Methylglutaramide 99% Material Safety Data Sheet
Synonym:Alpha, Gamma-Dicyano-Beta-Methyl Glutaramide

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
5447-66-5	2,4-Dicyano-3-Methylglutaramide	99	226-665-9

Hazard Symbols: T
Risk Phrases: 23/24 33

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Toxic by inhalation and in contact with skin. Danger of cumulative effects.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
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.
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:
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.
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:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
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# 5447-66-5: 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: Powder
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 159.00 - 160.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C8H10N4O2
Molecular Weight: 194.19

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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, dust generation, excess heat.
Incompatibilities with Other Materials:
Strong acids, strong bases, strong oxidizing agents, strong reducing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 5447-66-5: MA3000000 LD50/LC50:
Not available.
Carcinogenicity:
2,4-Dicyano-3-Methylglutaramide - 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: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: II
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: II
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: II

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T
Risk Phrases:
R 23/24 Toxic by inhalation and in contact with
skin.
R 33 Danger of cumulative effects.
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# 5447-66-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 5447-66-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 5447-66-5 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

化学性质：白色晶体，熔点为160-161℃。

用途：用于有机合成。

生产方法：将冷至10℃的氰乙酰胺水溶液与乙醛、哌啶混合，在室温下放置2小时后冷却搅拌。约1小时后，2,4-二氰基-3-甲基戊二酰胺结晶完全析出。过滤，用冷水洗涤，并干燥得到成品，产率约为82%。

反应信息

• 作为反应物：
  描述：

  2,4-二氰基-3-甲基戊二酰胺 在 盐酸 、 水 作用下， 生成 3-甲基戊二酸
  参考文献：
  名称：

  Kent; McElvain, Organic Syntheses, Collective

  摘要：

  DOI：
• 作为产物：
  描述：

  乙醛 、 氰乙酰胺 在 哌啶 、 水 作用下， 生成 2,4-二氰基-3-甲基戊二酰胺
  参考文献：
  名称：

  Kent; McElvain, Organic Syntheses, Collective

  摘要：

  DOI：

文献信息

• POLYAMINE AND METHOD FOR PRODUCING THE SAME
  申请人：Rhodia Operations

  公开号：EP2522688A1

  公开（公告）日：2012-11-14

  An object of the present application is to provide novel polyamine and a method for producing thereof that has excellent safety, a lot of flexibility regarding a variety of its productions, and that can produce the polyamine of high-molecular weight easily and inexpensively. The polyamine comprises a combination of units of the general formula (1) or (2):         - (NH - (CH2)m - NH - (CH2)n) -     (1) (in the formula (1), independently in every unit, "m" indicates an integral number of 0 or more and "n" indicates an integral number of 3 or more.)         - (NH - Y - NH - Z) -     (2) (in the formula (2), independently in every unit, "Y" and "Z" are the same as or different from each other, and they indicate substituted or unsubstituted groups comprising unsaturated aliphatic, cyclic aliphatic or aromatic hydrocarbon radical that may includes hetero atoms.)

  本申请的目的是提供一种新型多胺及其生产方法，该方法具有极佳的安全性，在各种产品的生产方面具有很大的灵活性，并且可以方便而廉价地生产高分子量的多胺。 该多胺由通式（1）或（2）的单元组合而成： - (NH - (CH2)m - NH - ( )n) - (1) (在式(1)中，每个单元中的 "m "独立地表示 0 或 0 以上的整数，"n "表示 3 或 3 以上的整数)。 - (NH - Y - NH - Z) - (2) (在式(2)中，每个单元中的 "Y "和 "Z "独立地彼此相同或不同，它们表示由不饱和脂肪族、环状脂肪族或芳香族烃基组成的取代或未取代基团，其中可能包括杂原子)。
• Day; Thorpe, Journal of the Chemical Society, 1920, vol. 117, p. 1472
  作者：Day、Thorpe

  DOI：——

  日期：——
• POLYAMINE AND METHOD FOR PRODUCING THEREOF
  申请人：Kitayama Hiroyuki

  公开号：US20130123542A1

  公开（公告）日：2013-05-16

  A method for producing a polyamine is described that provides excellent safety, a lot of flexibility regarding a variety of its productions, and that can produce a polyamine of high-molecular weight easily and inexpensively. The polyamine includes a combination of units of formula (1) or (2): —(NH—(CH 2 ) m —NH—(CH 2 ) n )—  (1) (in the formula (1), independently in every unit, “m” indicates an integral number of 0 or more and “n” indicates an integral number of 3 or more.) —(NH—Y—NH—Z)—  (2) (in the formula (2), independently in every unit, “Y” and “Z” are the same as or different from each other, and they indicate substituted or unsubstituted groups including unsaturated aliphatic, cyclic aliphatic or aromatic hydrocarbon radicals that can include hetero atoms.).
• US4304934A
  申请人：——

  公开号：US4304934A

  公开（公告）日：1981-12-08
• US8853457B2
  申请人：——

  公开号：US8853457B2

  公开（公告）日：2014-10-07

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