钠二乙基氨基二硫代甲酸盐三水合物 | 147-84-2

• 分子结构分类: 有机化合物 - 有机硫化合物
• 中文名称: 钠二乙基氨基二硫代甲酸盐三水合物
• 中文别名: 二乙基二硫代氨基甲酸
• 英文名称: Diethyldithiocarbamic acid
• 英文别名: diethyldithiocarbamate；(diethylazaniumyl)methanedithioate
• CAS: 147-84-2
• 化学式: C₅H₁₁NS₂
• mdl: MFCD00128944
• 分子量: 149.281
• InChiKey: LMBWSYZSUOEYSN-UHFFFAOYSA-N

物化性质

• 熔点：
  143-144 °C
• 沸点：
  176.4±23.0 °C(Predicted)
• 密度：
  1.079 (estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  36.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2930909090

SDS

Name:	Diethyldithiocarbamic acid 97% Material Safety Data Sheet
Synonym:	Diethyldithione
CAS:	147-84-2

Section 1 - Chemical Product MSDS Name:Diethyldithiocarbamic acid 97% Material Safety Data Sheet
Synonym:Diethyldithione

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
147-84-2	Diethyldithiocarbamic acid	97%	205-701-7

Hazard Symbols: XN
Risk Phrases: 22 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful if swallowed. Irritating to eyes, respiratory system and skin.Mutagen.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. Can produce delayed pulmonary edema.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Immediately 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. Wash mouth out with 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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical 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:
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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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# 147-84-2: 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: Solid
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: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C5H11NS2
Molecular Weight: 149.30

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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:
Dust generation, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 147-84-2: EZ4550000 LD50/LC50:
CAS# 147-84-2: Oral, rat: LD50 = 1 gm/kg.
Not available.
Carcinogenicity:
Diethyldithiocarbamic acid - 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: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 22 Harmful if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 147-84-2: No information available.
Canada
CAS# 147-84-2 is listed on Canada's DSL List.
CAS# 147-84-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 147-84-2 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

二硫代碳酸（二乙基二硫代氨基甲酸）是铜胶结速率的促进剂。双硫卡宾（二乙基二硫代氨基甲酸）能够降低HIV感染的发生率，并增强高危乳腺癌的辅助免疫治疗效果，相关研究显示其具有这些积极作用[1][2][3]。

反应信息

• 作为反应物：
  描述：

  钠二乙基氨基二硫代甲酸盐三水合物 在 氢化铝 作用下， 以 水 、 乙腈 为溶剂， 生成 乙胺
  参考文献：
  名称：

  高效液相色谱法对农药进行柱后光解，用于荧光测定。

  摘要：

  DOI：

  10.1021/ac00154a007
• 作为产物：
  描述：

  二硫化碳 、 二乙胺 以 水 为溶剂， 反应 0.08h， 生成 钠二乙基氨基二硫代甲酸盐三水合物
  参考文献：
  名称：

  Transition metal-free procedure for the synthesis of S-aryl dithiocarbamates using aryl diazonium fluoroborate in water at room temperature

  摘要：

  在没有任何过渡金属催化剂的情况下，通过在室温水中对芳基重氮氟硼酸盐、二硫化碳和胺进行简单的单锅缩合，开发出了一种方便、高效和绿色的 S-芳基二硫代氨基甲酸盐合成方法。该方法涉及多种取代的芳基重氮氟硼酸盐与环胺和开链胺的反应。产物通过乙醇结晶提纯，该过程不涉及任何有害溶剂。

  DOI：

  10.1039/c1gc00001b
• 作为试剂：
  描述：

  葡萄糖 、 L-半胱氨酸盐酸盐无水物 在 钠二乙基氨基二硫代甲酸盐三水合物 、 水 作用下， 生成 2(R,S)-D-gluco-(1',2',3',4',5'-pentahydroxypentyl)-thiazolidine-4(R)-carboxylic acid
  参考文献：
  名称：

  Agren, Acta Physiologica Scandinavica, 1940, vol. 1, p. 105,114

  摘要：

  DOI：

文献信息

• Synthesis of novel dithiocarbamates and xanthates using dialkyl azodicarboxylates: S N bond formation
  作者：Azim Ziyaei Halimehjani、Blanka Klepetářová、Petr Beier

  DOI：10.1016/j.tet.2018.02.049

  日期：2018.4

  characterized by a wide scope, high efficiency and straightforward isolation protocol. The synthetic utility of the dithiocarbamates and xanthates was demonstrated on the preparation of symmetrical and unsymmetrical thioureas, isothiocyanates, and thiocarbamates.

  通过在温和且无催化剂的条件下原位生成的二硫代氨基甲酸或黄原酸酯与偶氮二羧酸二烷基酯的反应，开发了一种用于合成一类新型二硫代氨基甲酸酯或黄原酸酯的单锅三组分途径。该反应的特点是范围广，效率高和直接的分离方案。在制备对称和不对称的硫脲，异硫氰酸酯和硫代氨基甲酸酯时，证明了二硫代氨基甲酸酯和黄原酸酯的合成效用。
• 取代的苯并噁唑
  申请人：拜耳制药股份公司

  公开号：CN105431428A

  公开（公告）日：2016-03-23

  本发明涉及式(I)的取代的苯并噁唑（其中R 1 表示下式的基团）和其制备方法以及它们用于制备如下目的的药物的用途：治疗和/或预防疾病，特别是心血管的病症，优选血栓形成的或血栓栓塞的病症。
• Synthesis of<i>S</i>- and<i>N</i>-Functionalized Dithiocarbamates from Cyclic Sulfates
  作者：Jose Parada-Aliste、Alicia Megia-Fernandez、Diego De la Torre-Gonzalez、Fernando Hernandez-Mateo、Francisco Santoyo-Gonzalez

  DOI：10.1002/ejoc.201201522

  日期：2013.6

  This chelating capability allowsthem to be used as antidotes against metal poisoning, inanalytical determination, or in waste water treatment ofheavy metals. Furthermore, this strong binding capacitymeans that numerous DTC metal complexes can act as in-hibitors of enzymes, with a profound effect on biologicalsystems.

  这种螯合能力使它们能够用作金属中毒的解毒剂、分析测定或重金属废水处理。此外，这种强大的结合能力意味着许多 DTC 金属配合物可以作为酶的抑制剂，对生物系统产生深远的影响。
• 一种光催化氧化制备二硫化四烃基秋兰姆的方法
  申请人：鹤壁元昊化工有限公司

  公开号：CN112358428B

  公开（公告）日：2022-02-15

  本发明涉及一种光催化氧化制备二硫化四烃基秋兰姆的方法，包括以下步骤：将仲胺、二硫化碳、催化剂在介质中混合反应，生成中间产物；中间产物在光照下催化氧化反应得到二硫化四烃基秋兰姆。该方法反应速度快、条件温和，实现了节能增效；所用介质与催化剂可循环使用，提高了资源利用率；该方法不产生无机盐副产物，产品收率高、纯度高。
• 3,6-Di(pyridin-2-yl)-1,2,4,5-tetrazine (pytz) mediated metal-free mild oxidation of thiols to disulfides in aqueous medium
  作者：Suvendu Samanta、Shounak Ray、Abhisek Brata Ghosh、Papu Biswas

  DOI：10.1039/c6ra01509c

  日期：——

  Thiols are efficiently oxidized to disulfides (RSSR) in presence of 3, 6-Di(pyridin-2-yl)-1,2,4,5-tetrazine (pytz) in aqueous medium, as well as in absence of solvent under mild and metal-free conditions. A broad...

  在3，6-二（吡啶-2-基）-1,2,4,5-四嗪（pytz）的存在下，在温和的条件下以及无溶剂的情况下，硫醇可有效地氧化为二硫化物（RSSR）。和无金属的条件。国外...

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