三氟甲烷磺酸钪 | 144026-79-9

• 物质功能分类: 有机原料 - 有机金属类化合物 - 有机钪、钽、铊、钨、锑、镧、铅、钒、钼、铬、镱等
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 中文名称: 三氟甲烷磺酸钪
• 中文别名: 三氟甲基磺酸钪(III)；三氟甲基磺酸钪；三氟甲磺酸钪
• 英文名称: Scandium;trifluoromethanesulfonic acid
• 英文别名: scandium;trifluoromethanesulfonic acid
• CAS: 144026-79-9
• 化学式: CHF3O3SSc
• 分子量: 195.04
• InChiKey: QUJLPICXDXFRSN-UHFFFAOYSA-N

物化性质

• 熔点：
  >300 °C
• 溶解度：
  可微溶于水
• 稳定性/保质期：

  避氧化物

计算性质

• 辛醇/水分配系数(LogP)：
  0.39
• 重原子数：
  9
• 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：
  62.8
• 氢给体数：
  1
• 氢受体数：
  6

安全信息

• TSCA：
  No
• 危险品标志：
  Xi
• 安全说明：
  S26,S36
• 危险类别码：
  R36/37/38
• WGK Germany：
  3
• 海关编码：
  28469099
• 危险品运输编号：
  UN 1759
• 包装等级：
  III
• 危险类别：
  8
• 危险性防范说明：
  P501,P260,P264,P280,P303+P361+P353,P301+P330+P331,P363,P304+P340+P310,P305+P351+P338+P310,P405
• 危险性描述：
  H314

SDS

Name:	Scandium(III) Trifluoromethanesulfonate Material Safety Data Sheet
Synonym:	Scandium Triflate
CAS:	144026-79-9

Section 1 - Chemical Product MSDS Name:Scandium(III) Trifluoromethanesulfonate Material Safety Data Sheet
Synonym:Scandium Triflate

---

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
144026-79-9	Scandium(III) Trifluoromethanesulfonat	ca. 100	unlisted

Hazard Symbols: C
Risk Phrases: 34

---

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.Hygroscopic (absorbs moisture from the air).Corrosive.
Potential Health Effects
Eye:
Causes eye burns. May cause chemical conjunctivitis and corneal damage.
Skin:
Causes skin burns. May cause skin rash (in milder cases), and cold and clammy skin with cyanosis or pale color.
Ingestion:
May cause severe and permanent damage to the digestive tract. Causes gastrointestinal tract burns. May cause perforation of the digestive tract. May cause systemic effects.
Inhalation:
Causes chemical burns to the respiratory tract. Aspiration may lead to pulmonary edema. May cause systemic effects.
Chronic:
Effects may be delayed.

---

Section 4 - FIRST AID MEASURES
Eyes: Get medical aid immediately. Do NOT allow victim to rub eyes or keep eyes closed. Extensive irrigation with water is required (at least 30 minutes).
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Destroy contaminated shoes.
Ingestion:
Never give anything by mouth to an unconscious person. 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 breathing is difficult, give oxygen. 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:
Treat symptomatically and supportively.

---

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. Containers may explode in the heat of a fire. Contact with metals may evolve flammable hydrogen gas.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

---

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.

---

Section 7 - HANDLING and STORAGE
Handling:
Minimize dust generation and accumulation. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing.
Keep container tightly closed. Do not ingest or inhale. Use only in a chemical fume hood. Discard contaminated shoes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area. Store protected from moisture. Store under argon.

---

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# 144026-79-9: 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.

---

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: 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: Soluble.
Specific Gravity/Density:
Molecular Formula: C3F9O9S3Sc
Molecular Weight: 492.17

---

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions. Hygroscopic: absorbs moisture or water from the air.
Conditions to Avoid:
Incompatible materials, dust generation, exposure to moist air or water.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, hydrogen fluoride gas, sulfur oxides (SOx), including sulfur oxide and sulfur dioxide.
Hazardous Polymerization: Will not occur.

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 144026-79-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Scandium(III) Trifluoromethanesulfonate - Not listed by ACGIH, IARC, or NTP.

---

Section 12 - ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: Pseudomonas putida:

---

Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

---

Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing Group: III
IMO
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing group: III

---

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 144026-79-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 144026-79-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 144026-79-9 is not listed on the TSCA inventory.
It is for research and development use only.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

化学性质

三氟甲烷磺酸钪在常温常压下为白色固体粉末状，遇水容易变质。尽管它在常温下是一种相对稳定的无机化合物，但在特定条件下如高温、强氧化剂的存在或光照等，可能会发生分解反应。

应用

三氟甲烷磺酸钪是一种非常活泼、有效且可再生和再利用的酰化催化剂。它在弗里德尔-克拉夫茨酰化反应、狄尔斯-阿尔德反应和其他碳-碳键形成反应中扮演重要角色。此外，该化合物还能催化立体选择性地丙烯酸酯的自由基聚合反应。在芳香族和脂肪族硫醇的加氢硫醇反应、二茂铁衍生物对氧气的选择性双电子还原反应以及吲哚和吡咯在水中的烷基化反应中，三氟甲烷磺酸钪可用作提高反应活性的促进剂。

合成方法

在一个干燥的反应烧瓶中，将去离子水溶液与三氟甲磺酸(> 99.5%，10.6 mL)以体积比为1:1进行混合。然后向装有氧化钪(Sc2O3)(> 99.9%，30 mmol)的烧瓶中缓慢加入三氟甲磺酸溶液。将所得的反应混合物加热至100℃并保持此温度回流搅拌反应3天。反应结束后，直接进行离心处理分离出含三氟甲烷磺酸钪的溶液，并通过真空蒸发除去水分。最后，在403 K下抽真空干燥产物40小时即可得到三氟甲烷磺酸钪。

用途

非常活泼、有效、可再生和再利用的酰化催化剂，广泛应用于弗里德尔-克拉夫茨酰化反应、狄尔斯-阿尔德反应和其他碳-碳键形成反应中。