mercury;2,2,2-trifluoroacetic acid | 13257-51-7

• 物质功能分类: 有机原料 - 有机金属类化合物 - 有机铪、汞、银、铂等
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: mercury;2,2,2-trifluoroacetic acid
• CAS: 13257-51-7
• 化学式: C4H2F6HgO4
• 分子量: 428.64
• InChiKey: PJKVYYDIPRBVAG-UHFFFAOYSA-N

物化性质

• 熔点：
  171-173 °C(lit.)
• 暴露限值：
  NIOSH: IDLH 10 mg/m3; TWA 0.05 mg/m3; Ceiling 0.1 mg/m3
• 稳定性/保质期：

  1. 在常温常压下，该物质是稳定的，应避免接触水分或潮湿空气。

     该物质易溶于二甲基甲酰胺（DMF）、二甲亚砜（DMSO）、丙酮、乙酸乙酯、四氢呋喃、乙醚、苯和二氯甲烷等有机溶剂中，并可能引发选择性羟汞化等反应。无水三氟乙酸汞在166～167℃时熔点稳定，可以在使用固体氢氧化钾作为干燥剂的干燥器中保存长达9个月。若含有水分，则熔点会降至100℃。

计算性质

• 辛醇/水分配系数(LogP)：
  1.26
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  10

安全信息

• 危险等级：
  6.1
• 危险品标志：
  T+,N
• 安全说明：
  S13,S28,S36,S45,S60,S61
• 危险类别码：
  R26/27/28,R50/53,R33
• WGK Germany：
  3
• 海关编码：
  29159080
• 包装等级：
  II
• 危险类别：
  6.1
• 危险品运输编号：
  UN 2025

SDS

Name:	Mercuric trifluoroacetate 98% Material Safety Data Sheet
Synonym:	Trifluoroacetic acid, mercury(II) sal
CAS:	13257-51-7

Section 1 - Chemical Product MSDS Name:Mercuric trifluoroacetate 98% Material Safety Data Sheet
Synonym:Trifluoroacetic acid, mercury(II) sal

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
13257-51-7	Mercuric trifluoroacetate, 98%	98%	236-250-4

Hazard Symbols: T+
Risk Phrases: 26/27/28 33

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Very toxic by inhalation, in contact with skin and if swallowed.
Danger of cumulative effects.Hygroscopic (absorbs moisture from the air).
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
May cause liver and kidney damage. May cause perforation of the digestive tract. May cause vascular collapse and damage. Causes severe pain, nausea, vomiting, diarrhea, and shock. May cause central nervous system effects.
Inhalation:
Causes respiratory tract irritation. May cause effects similar to those described for ingestion.
Chronic:
Prolonged or repeated inhalation of dusts may cause neurological damage. May cause liver and kidney damage. May cause reproductive and fetal effects. May cause tremors, irritability, loss of memory and intellect. May also cause Pink disease characterized by skin, cardiovascular, and neurobehavioral abnormalities.

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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 immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
SPEED IS ESSENTIAL. A DOCTOR MUST BE NOTIFIED AT ONCE. 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.
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.
Extinguishing Media:
Use water spray, dry chemical, or carbon dioxide.

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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:
Do not get in eyes, on skin, or on clothing. Do not ingest or inhale. Do not allow contact with water. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Poison room locked.

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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 process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 13257-51-7: United States OSHA: 0.1 mg/m3 Ceiling (listed under Mercury, ary and inorganic compounds).
Belgium - TWA: (listed as mercury, aryl and inorganic compounds): mg/m3 VLE (as Hg) France - VME: (listed as mercury, aryl and inorganic compounds): mg/m3 VME (as Hg) Germany: (listed as mercury, aryl and inorganic compounds): 0.1 m VME (as Hg) Malaysia: (listed as mercury, aryl and inorganic compounds): 0.1 mg/m3 TWA (as Hg) Spain: (listed as mercury, aryl and inorganic compounds): 0.1 mg/ VLA-ED (as Hg) 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: slightly yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: @ 760.00mm Hg
Freezing/Melting Point: 171 - 173 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: C4F6O4Hg
Molecular Weight: 426.61

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
None reported.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, hydrogen fluoride gas, mercury/mercury oxides.
Hazardous Polymerization: Will not occur.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 13257-51-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Mercuric trifluoroacetate, 98% - 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
Shipping Name: MERCURY COMPOUND, SOLID, N.O.S.
Hazard Class: 6.1
UN Number: 2025
Packing Group: II
IMO
Shipping Name: MERCURY COMPOUND, SOLID, N.O.S.
Hazard Class: 6.1
UN Number: 2025
Packing Group: II
RID/ADR
Shipping Name: MERCURY COMPOUND, SOLID, N.O.S.
Hazard Class: 6.1
UN Number: 2025
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 26/27/28 Very toxic by inhalation, in contact with
skin and if swallowed.
R 33 Danger of cumulative effects.
Safety Phrases:
S 13 Keep away from food, drink and animal feeding
stuffs.
S 28A After contact with skin, wash immediately with
plenty of water.
S 36 Wear suitable protective clothing.
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# 13257-51-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 13257-51-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 13257-51-7 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

促进甲硫基取代的二乙烯基酮选择性环化成5-氟环戊烯酮衍生物。

生产方法

1. 将1.1摩尔氧化汞（Ⅱ）溶解在300毫升三氟醋酸中，加入1摩尔三氟乙酸酐。控制加料速度以保持温和回流，并通过真空除去溶剂得到三氟醋酸汞418克，产率为98%，熔点为164～168℃。经过两次重结晶（使用三氟乙酸），熔点提高至167～169℃。

2. 在50毫升玻璃压力管中加入1.02克(5毫米摩尔)Hg、5毫升三氟乙酸、0.04克(0.45毫米摩尔)浓硝酸和氧气（60psig，其中1psig=6894.76帕斯卡），在室温下振摇1小时。压力降至38psig时停止。滴定结果显示Hg已全部（100%）转化为Hg(Ⅱ)。除去溶剂后，得到三氟乙酸汞（Ⅱ）晶体产率98%。