三氟乙酸汞(II)

三氟乙酸汞(II) 基本信息
CAS号 13257-51-7 分子式 C4F6HgO4
分子量 426.62100 精确质量  427.94100
PSA  52.60000 LogP  1.10990

基本信息 展开↓

CAS号:
13257-51-7
3D弹球模型:
立即前往扯扯看
分子式:
C4F6HgO4
分子量:
426.62100
中文名称:
三氟乙酸汞(II)
英文名称:
Mercuric trifluoroacetate
中文别名:
三氟乙酸汞(II);
三氟醋酸汞
英文别名:
Mercuric trifluoroacetate;
mercury trifluoro-acetate;
mercury diselenocyanate
精确分子量/精确质量:
427.94100
极性分子表面积/PSA:
52.60000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00013201
EINECS:
236-250-4
PubChem:
24849613
BRN:
3633860
InChI:
The Key: RBXZJTXRORAMOF-UHFFFAOYSA-M

生产制备方法及用途展开↓

合成制备方法


1.1mol氧化汞(Ⅱ)溶于300mL三氟醋酸中,加入1mol三氟乙酸酐,加入速度应控制在能保持温和回流,真空除去溶剂得到三氟醋酸汞418g,产率98%。熔点164~168℃。用三氟乙酸重结晶二次,熔点提高到167~169℃。

2.50mL玻璃压力管中放入1.02g(5mmol)Hg,5mL三氟乙酸,0.04g(0.45mmol)浓硝酸,和氧气(60psig)1psig(磅/平方英寸)=689476Pa(表压)。,室温下振摇1h,压力降至38psig。滴定表示Hg已全部(100%)转变为Hg(Ⅱ)。蒸去溶剂。三氟乙酸汞(Ⅱ)晶体产率达98%。

 

用途


1.氧化a一酮基腺成重氮酮。类异戊二烯的环化。从丙烯醇类制顺1,2一二醇。〔3,3〕a移位重排。环汞化。乙烯基氯化物的水解。二烯的溴化环化。双键上的叠氮汞化。

物化性质展开↓

外观与性状:
近乎于白色至淡米色结晶粉末
熔点:
171-173ºC
沸点:
72.2ºC at 760mmHg
蒸汽压:
96.2mmHg at 25°C
存储条件/存储方法:

常温密闭,阴凉通风干燥

稳定性相关:

1.常温常压下稳定

避免的物料 水分/潮湿空气。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,可发生选择性羟汞化(oxymercuration)等反应。熔点为166~167℃的无水三氟乙酸汞,可保存在用固体氢氧化钾作干燥剂的干燥器中达9个月之久。若含水,其熔点可降至100℃。

其它信息:

1.        性状:无色晶体。

2.        密度(g/mL,25℃):未确定

3.        相对蒸汽密度(g/mL,空气=1):未确定

4.        熔点(ºC):167~169

5.        沸点(ºC,常压):未确定

6.        沸点(ºC,10mmHg):未确定

7.        折射率:未确定

8.        闪点(ºC):未确定

9.        比旋光度(º):未确定

10.     自燃点或引燃温度(ºC):未确定

11.     蒸气压(20ºC):未确定

12.     饱和蒸气压(kPa,60ºC):未确定

13.     燃烧热(KJ/mol):未确定

14.     临界温度(ºC):未确定

15.     临界压力(KPa):未确定

16.     油水(辛醇/水)分配系数的对数值:未确定

17.     爆炸上限(%,V/V):未确定

18.     爆炸下限(%,V/V):未确定

19.     溶解性:溶于水,易溶于多种有机溶剂如二甲基甲酰胺、二甲亚砜、丙酮、乙酸乙醋、四氢呋喃、乙醚和苯等。

安全信息展开↓

包装等级:
II
风险类别:
6.1
海关代码:
29159080
危险类别码:
R26/27/28;R33;R50/53
安全说明:
S13-S28-S36-S45-S60-S61
安全标志:
S13:远离食品、饮料和动物饲料。
S28:接触皮肤之后,立即使用大量皂液洗涤。
S36:穿戴合适的防护服装。
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
S60:本物质残余物和容器必须作为危险废物处理。
S61:避免排放到环境中。参考专门的说明/安全数据表。
危险标志:
T+:Verytoxic;N:Dangerous for the environment;

毒理性展开↓

毒理学数据:

主要的刺激性影响:

在皮肤上面:刺激皮肤和粘膜

在眼睛上面:刺激的影响

致敏作用:没有已知的敏化现象

生态数据:

对水体是极其有害的,即使小量产品也不能接触地下水,水道或污水系统, 若无政府许可,勿将材料排入周围环境

MSDS 展开↓

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

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

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.

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:

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.

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.

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.

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.

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

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.

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.

Section 12 - ECOLOGICAL INFORMATION
 

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

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

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.


SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

分子结构数据


1、摩尔折射率:无可用的

2、摩尔体积(cm3/mol):无可用的

3、等张比容(90.2K):无可用的

4、表面张力(dyne/cm):无可用的

5、介电常数:无可用的

6、极化率(10-24cm3):无可用的

7、单一同位素质量:427.940678 Da

8、标称质量:428 Da

9、平均质量:426.6208 Da

计算化学数据


1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:0

3.氢键受体数量:10

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积80.3

7.重原子数量:15

8.表面电荷:0

9.复杂度:77.9

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:3

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