molybdenum hexafluoride

物化性质

外观与性状：

液体

密度：

2.3 g/mL at 25 °C(lit.)

熔点：

17.5 °C(lit.)

沸点：

37 °C(lit.)

闪点：

35°CC

存储条件/存储方法：

保持贮藏器密封

放入紧密的贮藏器内，储存在阴凉，干燥的地方

稳定性相关：

如果遵照规格使用和储存则不会分解.

在水中能水解，能溶于无水氢氟酸中，溶解度为15mol/100gHF。

是一个非常强的氧化剂。立方晶系，a=0.623nm，在低于-9.6℃时转变成正交晶系，a=0.961nm，b=0.875nm，c=0.507nm，MoF平均键能439.4kJ/mol；ΔH=1626.3kJ/mol（l），1558.5kJ/mol（g）；-ΔG=1511.6kJ/mol（l），1468.1kJ/mol（g），ΔS=94.2kJ/mol，在无水HF中；溶解度1.50mol/1000gHF，比电导0.1Ω-1·cm·mol-1。

其它信息：

1. 性状：无色体心立方（或正交）晶体，极易吸潮，在潮湿空气中放出蓝白色烟雾，易挥发成气体。

2. 密度（g/mL 25ºC）：2.88（5℃）或3.27（-46℃），液体相对密度1.55

3. 相对蒸汽密度（g/mL,空气=1）：未确定

4. 熔点（ºC）：17.4

5. 沸点（ºC，常压）：34.0

6. 沸点（ºC,5.2kPa）：未确定

7. 折射率（n20/D）：未确定

8. 闪点（ºC，）：35

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（kPa,25ºC）：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（25℃）：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(mg/mL)：在水中能水解，能溶于无水氢氟酸中

安全信息

外观与性状：

液体

密度：

2.3 g/mL at 25 °C(lit.)

熔点：

17.5 °C(lit.)

沸点：

37 °C(lit.)

闪点：

35°CC

存储条件/存储方法：

保持贮藏器密封

放入紧密的贮藏器内，储存在阴凉，干燥的地方

稳定性相关：

如果遵照规格使用和储存则不会分解.

在水中能水解，能溶于无水氢氟酸中，溶解度为15mol/100gHF。

是一个非常强的氧化剂。立方晶系，a=0.623nm，在低于-9.6℃时转变成正交晶系，a=0.961nm，b=0.875nm，c=0.507nm，MoF平均键能439.4kJ/mol；ΔH=1626.3kJ/mol（l），1558.5kJ/mol（g）；-ΔG=1511.6kJ/mol（l），1468.1kJ/mol（g），ΔS=94.2kJ/mol，在无水HF中；溶解度1.50mol/1000gHF，比电导0.1Ω-1·cm·mol-1。

其它信息：

1. 性状：无色体心立方（或正交）晶体，极易吸潮，在潮湿空气中放出蓝白色烟雾，易挥发成气体。

2. 密度（g/mL 25ºC）：2.88（5℃）或3.27（-46℃），液体相对密度1.55

3. 相对蒸汽密度（g/mL,空气=1）：未确定

4. 熔点（ºC）：17.4

5. 沸点（ºC，常压）：34.0

6. 沸点（ºC,5.2kPa）：未确定

7. 折射率（n20/D）：未确定

8. 闪点（ºC，）：35

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（kPa,25ºC）：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（25℃）：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(mg/mL)：在水中能水解，能溶于无水氢氟酸中

毒理性

生态数据：

对水是稍微危害的，若无政府许可，勿将材料排入周围环境

MSDS

Name:	Molybdenum(VI) Fluoride 99.9+% Material Safety Data Sheet
Synonym:	None
CAS:	7783-77-9

Section 1 - Chemical Product   MSDS Name:Molybdenum(VI) Fluoride 99.9+% Material Safety Data Sheet
Synonym:None
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
7783-77-9	Molybdenum(VI) Fluoride	99.9+%	232-026-5

Hazard Symbols: C
Risk Phrases: 32 34
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Contact with acids liberates very toxic gas. Causes burns.Moisture sensitive.Corrosive.
Potential Health Effects
Eye:
Causes eye burns. May cause chemical conjunctivitis and corneal damage.
Skin:
Causes skin burns. May penetrate the skin and cause severe tissue and bone destruction. 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. Ingestion of large amounts of fluoride may cause salivation, nausea, vomiting, abdominal pain, fever, labored breathing. Exposure to fluoride compounds can result in systemic toxic effects on the heart, liver, and kidneys. It may also deplete calcium levels in the body leading to hypocalcemia and death. Contains fluoride.
Inhalation:
Causes chemical burns to the respiratory tract. Inhalation may be fatal as a result of spasm, inflammation, edema of the larynx and bronchi, chemical pneumonitis and pulmonary edema. Aspiration may lead to pulmonary edema. May cause systemic effects.
Chronic:
May cause liver and kidney damage. 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:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. 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:
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. Use water spray to keep fire-exposed containers cool. Use extinguishing media appropriate to the surrounding fire. Substance is noncombustible. May react with acids or moisture to form explosive hydrogen gas. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated.
Extinguishing Media:
Substance is noncombustible; use agent most appropriate to extinguish surrounding fire. Use dry chemical to fight fire. Do NOT get water inside containers. Cool containers with flooding quantities of water until well after fire is out.
Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation. Do not get water inside containers.
Section 7 - HANDLING and STORAGE
  Handling:
Keep container tightly closed. Do not get on skin or in eyes. Do not ingest or inhale. Use with adequate ventilation. Do not allow contact with water. This product may be under pressure; cool before opening.
Discard contaminated shoes. Use caution when opening. Keep from contact with moist air and steam.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area. Keep away from acids. Store in metal containers.
Store protected from moisture.
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# 7783-77-9: 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 minimize contact with skin.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.
Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Liquid
Color: colorless
Odor: pungent odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 37 deg C
Freezing/Melting Point: 17.5 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: 2.3000g/cm3
Molecular Formula: MoF6
Molecular Weight: 209.93
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions. Contact with acid liberates gas.
Conditions to Avoid:
Incompatible materials, moisture, exposure to air, acids, exposure to moist air or water.
Incompatibilities with Other Materials:
Moisture, acids, acidic conditions, strong bases, strong oxidizing agents, strong reducing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 7783-77-9: QA4681450 LD50/LC50:
CAS# 7783-77-9: Inhalation, mouse: LC50 = 339 mg/m3; Inhalation, rat: LC50 = 333 mg/m3.
Carcinogenicity:
Molybdenum(VI) Fluoride - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.
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: CORROSIVE LIQUID, N.O.S.*
Hazard Class: 8
UN Number: 1760
Packing Group: II
IMO
Shipping Name: CORROSIVE LIQUID, N.O.S.
Hazard Class: 8
UN Number: 1760
Packing Group: II
RID/ADR
Shipping Name: CORROSIVE LIQUID, N.O.S.
Hazard Class: 8
UN Number: 1760
Packing group: II
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 32 Contact with acids liberates very toxic gas.
R 34 Causes burns.
Safety Phrases:
S 25 Avoid contact with eyes.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
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# 7783-77-9: No information available.
Canada
CAS# 7783-77-9 is listed on Canada's NDSL List.
CAS# 7783-77-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 7783-77-9 is listed on the TSCA inventory.

SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据

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:6

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0

7.重原子数量:7

8.表面电荷:0

9.复杂度:62.7

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:1