1-丁基-1-甲基吡咯烷二腈胺盐 | 370865-80-8

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 中文名称: 1-丁基-1-甲基吡咯烷二腈胺盐
• 英文名称: 1-butyl-1-methylpyrrolidinium dicyanamide
• 英文别名: N-Butyl-N-methylpyrrolidinium dicyanamide；[pyrr14](1+)[dca](1-)；[C4MPyr][DCA]；[BMPYR][DCA]；[BMpyrr]DCA；1-butyl-1-methylpyrrolidin-1-ium;cyanoiminomethylideneazanide
• CAS: 370865-80-8
• 化学式: C₂N₃*C₉H₂₀N
• 分子量: 208.307
• InChiKey: LBHLGZNUPKUZJC-UHFFFAOYSA-N

物化性质

• 熔点：
  -55 °C
• 密度：
  1.02 g/cm3
• 沸点：
  >171°C(decomposition)

计算性质

• 辛醇/水分配系数(LogP)：
  2.24
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  37.2
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S26,S36/37
• 危险类别码：
  R22,R36/37/38,R43

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : 1-Butyl-1-methylpyrrolidinium dicyanamide
CAS-No. : 370865-80-8
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Acute toxicity, Oral (Category 4)
Skin irritation (Category 2)
Eye irritation (Category 2)
Respiratory sensitization (Category 1)
Specific target organ toxicity - single exposure (Category 3)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Harmful if swallowed. Irritating to eyes, respiratory system and skin. May cause sensitization by skin
contact.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal word Danger
Hazard statement(s)
H302 Harmful if swallowed.
H315 Causes skin irritation.
H319 Causes serious eye irritation.
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled.
H335 May cause respiratory irritation.
Precautionary statement(s)
P261 Avoid breathing vapours.
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
P342 + P311 If experiencing respiratory symptoms: Call a POISON CENTER or doctor/
physician.
Supplemental Hazard none
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R22 Harmful if swallowed.
R36/37/38 Irritating to eyes, respiratory system and skin.
R43 May cause sensitization by skin contact.
S-phrase(s)
S26 In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
S36/37 Wear suitable protective clothing and gloves.
Caution - substance not yet tested completely.
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : C11H20N4
Molecular Weight : 208,3 g/mol
Component Concentration
1-Butyl-1-methylpyrrolidinium dicyanamide
CAS-No. 370865-80-8 -

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Section 4. FIRST AID MEASURES
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Indication of any immediate medical attention and special treatment needed
no data available

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Section 5. FIREFIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, nitrogen oxides (NOx)
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation.
Evacuate personnel to safe areas.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Soak up with inert absorbent material and dispose of as hazardous waste. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Avoid contact with skin and eyes. Avoid inhalation of vapour or mist.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are
opened must be carefully resealed and kept upright to prevent leakage.
Store under inert gas. Moisture sensitive.
Specific end uses
no data available

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Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Face shield and safety glasses Use equipment for eye protection tested and approved under
appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Complete suit protecting against chemicals, The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator
with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup
to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air
respirator. Use respirators and components tested and approved under appropriate government
standards such as NIOSH (US) or CEN (EU).

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: liquid
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing no data available
point
f) Initial boiling point and no data available
boiling range
g) Flash point no data available
h) Evaporation rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density no data available
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Autoignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

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Section 10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available

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Section 11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation May be harmful if inhaled. Causes respiratory tract irritation.
Ingestion Harmful if swallowed.
Skin May be harmful if absorbed through skin. Causes skin irritation.
Eyes Causes serious eye irritation.
Signs and Symptoms of Exposure
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Additional Information
RTECS: Not available

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Section 12. ECOLOGICAL INFORMATION
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
no data available
Other adverse effects
no data available

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Section 13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company.
Contaminated packaging
Dispose of as unused product.

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Section 14. TRANSPORT INFORMATION
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available

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SECTION 15 - REGULATORY INFORMATION
N/A

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  uranyl nirate hexahydrate 、 1-丁基-1-甲基吡咯烷二腈胺盐 生成 [C₄mpyrr]_2[(UO₂(NO₃)₂N(CN)₂)₂]
  参考文献：
  名称：

  从N-供体离子液体中分离铀酰双氰胺配合物

  摘要：

  通过UO 2（NO 3）2 ·6H 2 O与双氰胺（[N（CN）2 ] -）的IL。[N（CN）2 ] -离子能够快速取代铀的O-供体配体，这是通过对两个UO 2（NO 3）2与[N（CN）的无水加合物进行的单晶X射线衍射研究证明的。2 ] -离子液体以及UO 2溶液的IR和NMR光谱研究这些IL中的（NO 3）2。相比之下，UO 2（OAc）2 ·2H 2 O与腈官能化的咪唑鎓二氰胺IL在溶剂中的缓慢反应以及UO 2（NO 3）2 ·6H 2 O与NaN（CN）2的反应在高温下进行温度导致不可逆的水解。UO 2 SO 4与[N（CN）2 ] -离子在酸化水溶液中的反应导致[UO 2 ] 2+络合物与缩二脲N（CN）2 ]的结晶。−水解产物。IL形式的[N（CN）2 ] -离子在室温下与[UO 2 ] 2+快速反应，允许配体被[N（CN）2 ] -取代，从而与较慢的水解反应竞争。铀酰双氰胺

  DOI：

  10.1021/acs.inorgchem.5b01699
• 作为产物：
  描述：

  银二氰胺 、 1-丁基-1-甲基吡咯烷碘化物 以 水 为溶剂， 以83%的产率得到1-丁基-1-甲基吡咯烷二腈胺盐
  参考文献：
  名称：

  基于双氰胺阴离子有机盐的低粘度离子液体

  摘要：

  新的盐类，即。季铵盐，N-烷基-N-甲基吡咯烷鎓或 1-烷基-3-甲基咪唑鎓双氰胺，Cat+N(CN)2-，是低熔点化合物，大多数在室温下为液体，与水混溶，并且具有低（对于离子液体) 室温下的粘度，例如对于 1-乙基-3-甲基咪唑鎓双氰胺，η = 21 cP。

  DOI：

  10.1039/b103064g

文献信息

• RESIN MODIFIER
  申请人：Kitayama Hiroaki

  公开号：US20120263883A1

  公开（公告）日：2012-10-18

  The present invention provides a resin modifier capable of obtaining a coating film having satisfactory basic performances such as antistatic properties, water resistance and transparency, a method for producing a coating film using the resin modifier, and a coating film obtained by the production method. The resin modifier of the present invention is a resin modifier represented by R 31 —O-(AO) n —SO 3 − , R 32 —OSO 3 − , or R 33 —SO 3 − and an ammonium ion that has a polymerizable unsaturated group.

  本发明提供了一种树脂改性剂，能够获得具有良好基本性能，如抗静电性能、耐水性和透明性的涂层膜，以及使用该树脂改性剂生产涂层膜的方法和通过该生产方法获得的涂层膜。本发明的树脂改性剂是由R31—O-(AO)n—SO3−、R32—OSO3−或R33—SO3−和具有聚合可不饱和基团的铵离子表示的树脂改性剂。
• A silver and water free metathesis reaction: a route to ionic liquids
  作者：Hassan Srour、Hélène Rouault、Catherine C. Santini、Yves Chauvin

  DOI：10.1039/c3gc37034h

  日期：——

  A versatile, cheaper, silver and water-free metathesis reaction was developed for imidazolium, phosphonium and pyrrolidinium based ionic liquids (ILs) associated with different anions such as dicyanamide, thiocyanate, tetrafluoroborate and bis(trifluoromethylsulfonyl)imide. This route, using the melt of amine chloride as a solvent and reagent, favours the ion exchange reaction using anion salts of

  多功能，便宜，无银，无水 复分解反应 被开发用于咪唑鎓，and和吡咯烷鎓 离子液体 （ILs）与不同的阴离子相关，例如 双氰胺，硫氰酸酯，四氟硼酸酯和双（三氟甲基磺酰基）酰亚胺。这条路线，使用氯化胺的熔体作为溶剂 和试剂，有利于使用Na或Li阴离子盐进行离子交换反应，产生 离子液体高纯度（≥99.5％）和高收率（≥90％）。这条路线特别适合水 易混溶的IL制剂。
• Low viscosity ionic liquids based on organic salts of the dicyanamide anion
  作者：Douglas R. MacFarlane、Jake Golding、Stewart Forsyth、Maria Forsyth、Glen B. Deacon

  DOI：10.1039/b103064g

  日期：——

  New families of salts viz. quaternary ammonium, N-alkyl-N-methylpyrrolidinium or 1-alkyl-3-methylimidazolium dicyanamides, Cat+N(CN)2−, are low melting compounds, most being liquid at rt, water-miscible and have low (for ionic liquids) viscosity at rt, e.g.η = 21 cP for 1-ethyl-3-methylimidazolium dicyanamide.

  新的盐类，即。季铵盐，N-烷基-N-甲基吡咯烷鎓或 1-烷基-3-甲基咪唑鎓双氰胺，Cat+N(CN)2-，是低熔点化合物，大多数在室温下为液体，与水混溶，并且具有低（对于离子液体) 室温下的粘度，例如对于 1-乙基-3-甲基咪唑鎓双氰胺，η = 21 cP。
• Isolation of Uranyl Dicyanamide Complexes from N-Donor Ionic Liquids
  作者：Steven P. Kelley、Robin D. Rogers

  DOI：10.1021/acs.inorgchem.5b01699

  日期：2015.11.2

  irreversible hydrolysis. The reaction of UO2SO4 with [N(CN)2]− ions in an acidified aqueous solution resulted in the crystallization of a [UO2]2+ complex with biuret, a N(CN)2]− hydrolysis product. [N(CN)2]− ions in the form of ILs react rapidly with [UO2]2+ at room temperature, allowing ligand substitution with [N(CN)2]− to out-compete the slower hydrolysis reaction, enabling the isolation of uranyl dicyanamide

  通过UO 2（NO 3）2 ·6H 2 O与双氰胺（[N（CN）2 ] -）的IL。[N（CN）2 ] -离子能够快速取代铀的O-供体配体，这是通过对两个UO 2（NO 3）2与[N（CN）的无水加合物进行的单晶X射线衍射研究证明的。2 ] -离子液体以及UO 2溶液的IR和NMR光谱研究这些IL中的（NO 3）2。相比之下，UO 2（OAc）2 ·2H 2 O与腈官能化的咪唑鎓二氰胺IL在溶剂中的缓慢反应以及UO 2（NO 3）2 ·6H 2 O与NaN（CN）2的反应在高温下进行温度导致不可逆的水解。UO 2 SO 4与[N（CN）2 ] -离子在酸化水溶液中的反应导致[UO 2 ] 2+络合物与缩二脲N（CN）2 ]的结晶。−水解产物。IL形式的[N（CN）2 ] -离子在室温下与[UO 2 ] 2+快速反应，允许配体被[N（CN）2 ] -取代，从而与较慢的水解反应竞争。铀酰双氰胺