三氟甲基亚磺酸钾 | 41804-89-1

• 物质功能分类: 有机原料 - 有机金属类化合物 - 有机钾
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 亚磺酸及其衍生物
• 中文名称: 三氟甲基亚磺酸钾
• 中文别名: 三氟代甲烷亚磺酸钾；三氟甲烷亚磺酸钾；三氟甲基亚硫酸钾
• CAS: 41804-89-1
• 化学式: CHF3KO2S
• 分子量: 173.18
• InChiKey: GKGQDSCIRJPRAT-UHFFFAOYSA-N

物化性质

• 熔点：
  236-241 °C

计算性质

• 辛醇/水分配系数(LogP)：
  0.35
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  56.5
• 氢给体数：
  1
• 氢受体数：
  6

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 海关编码：
  2930909090
• 安全说明：
  S26,S36

SDS

Name:	Trifluoromethanesulphinic acid potassium salt Material Safety Data Sheet
Synonym:
CAS:	41804-89-1

Section 1 - Chemical Product MSDS Name:Trifluoromethanesulphinic acid potassium salt Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
41804-89-1	Trifluoromethanesulphinic acid potassi		255-556-9

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.
Skin:
Causes skin irritation.
Ingestion:
May cause irritation of the digestive tract. 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.
Chronic:
Not available.

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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.
Ingestion:
Get medical aid. 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.
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. Substance is noncombustible.
Extinguishing Media:
Use extinguishing media most appropriate for the surrounding fire.

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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.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 41804-89-1: Personal Protective Equipment Eyes: Not available.
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: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 170 - 171 deg C
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:
Molecular Weight: 172.20

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong acids, strong bases.
Hazardous Decomposition Products:
Carbon monoxide, oxides of sulfur, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Will not occur.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 41804-89-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Trifluoromethanesulphinic acid potassium salt - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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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 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# 41804-89-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 41804-89-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 41804-89-1 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

用途

三氟甲基亚磺酸钾是一种有机钾盐，可用于制备磺酰亚胺盐，如双(三氟甲烷磺酰基)亚胺锂((CF₃SO₂)₂NLi 或 LiTFSI)或双(全氟乙烷磺酰基)亚胺锂((C₂F₅SO₂)₂NLi)，这些化合物具有电子电荷的传导或消散作用。

制备

将0.913公斤（6摩尔）三氟乙酸钾溶解在5.22公斤DMF中，置于一个预洗涤并干燥的15升高压釜中。随后，通过鼓泡方式逐滴加入二氧化硫，并确定其准确量为0.768公斤（约为三氟乙酸钾摩尔数的21倍）。随后封闭反应器，在140℃下加热搅拌4至5小时。冷却至室温后，对反应器进行脱气处理，并将产物转移至一个10升玻璃容器中。经过适当的稀释后，离子色谱分析结果如下：重量平衡为97%（收集重量6.7公斤）；三氟乙酸钾转化率为64%±2.5%（在反应介质中检测的三氟乙酸钾为0.326公斤）；三氟甲基亚磺酸钾产率为50%±2.5%（在反应介质中检测的三氟甲基亚磺酸钾为0.517公斤）。