氟化铊(I) | 7789-27-7

• 物质功能分类: 无机化工 - 无机盐 - 金属卤化物及卤酸盐
• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 后过渡金属盐
• 中文名称: 氟化铊(I)
• 英文名称: thallium fluoride
• 英文别名: Thallium(1+) fluoride；thallium(1+);fluoride
• CAS: 7789-27-7
• 化学式: FTl
• 分子量: 223.381
• InChiKey: CULOEOTWMUCRSJ-UHFFFAOYSA-M

物化性质

• 熔点：
  322 °C(lit.)
• 沸点：
  655 °C
• 密度：
  8.3 g/mL at 25 °C(lit.)
• 闪点：
  655°C
• 暴露限值：
  ACGIH: TWA 0.02 mg/m3; TWA 2.5 mg/m3 (Skin)NIOSH: IDLH 15 mg/m3; IDLH 250 mg/m3; TWA 0.1 mg/m3
• 稳定性/保质期：
  如果按照规格使用和储存，则不会分解。 避免接触氧化物和酸。 不纯品为黄色结晶，在300～315℃熔融，具有吸湿性，饱和水溶液中含70%的TlF，显碱性。它难溶于氨和乙醇，但易溶于氢氟酸形成酸式盐。

计算性质

• 辛醇/水分配系数(LogP)：
  0.04
• 重原子数：
  2
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

ADMET

毒理性

• 副作用

神经毒素 - 感觉运动

Neurotoxin - Sensorimotor

来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

安全信息

• TSCA：
  T
• 危险等级：
  6.1
• 危险品标志：
  T+,N,T
• 安全说明：
  S13,S28,S45,S61
• 危险类别码：
  R26/28,R33,R51/53
• WGK Germany：
  3
• 海关编码：
  28261990
• 危险品运输编号：
  UN 1707 6.1/PG 2
• RTECS号：
  XG4900000
• 包装等级：
  II
• 危险类别：
  6.1

SDS

Name:	Thallium(I) fluoride 99% Material Safety Data Sheet
Synonym:
CAS:	7789-27-7

Section 1 - Chemical Product MSDS Name:Thallium(I) fluoride 99% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
7789-27-7	Thallium(I) fluoride	99%	232-154-1

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

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Very toxic by inhalation and if swallowed. Danger of cumulative effects.Heat sensitive.Moisture sensitive.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be fatal if absorbed through the skin.
Ingestion:
May be fatal or cause blindness if swallowed. May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. May cause alopecia (loss of hair).
Inhalation:
May be fatal if inhaled. May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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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. Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Get medical aid immediately.
Skin:
Get medical aid. Get medical aid immediately. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam. Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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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. Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Store in a cool, dry, well-ventilated area away from incompatible substances.

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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 adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 7789-27-7: 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:
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. 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: Powder
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 655 deg C
Freezing/Melting Point: 322 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: 78.6 G/100ML (15C)
Specific Gravity/Density:
Molecular Formula: FTl
Molecular Weight: 223.37

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, moisture, excess heat.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases, hydrogen fluoride gas.
Hazardous Polymerization: Will not occur.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 7789-27-7: XG4900000 LD50/LC50:
Not available.
Carcinogenicity:
Thallium(I) fluoride - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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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: THALLIUM COMPOUND, N.O.S.
Hazard Class: 6.1
UN Number: 1707
Packing Group: III
IMO
Shipping Name: THALLIUM COMPOUND, N.O.S.
Hazard Class: 6.1
UN Number: 1707
Packing Group: III
RID/ADR
Shipping Name: THALLIUM COMPOUND, N.O.S.
Hazard Class: 6.1
UN Number: 1707
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 26/28 Very toxic by inhalation and if swallowed.
R 33 Danger of cumulative effects.
Safety Phrases:
S 13 Keep away from food, drink and animal feeding
stuffs.
S 28 After contact with skin, wash immediately
with...
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
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# 7789-27-7: No information available.
Canada
CAS# 7789-27-7 is listed on Canada's NDSL List.
CAS# 7789-27-7 is listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 7789-27-7 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

类别：农药
毒性分级：剧毒
急性毒性：腹腔-大鼠LDL0: 50毫克/公斤

可燃性危险特性：可燃；燃烧产生有毒氟化物烟雾
储运特性：库房通风、低温干燥
灭火剂：干粉、泡沫、砂土、二氧化碳，雾状水

职业标准：TWA 0.1 毫克（铊）/立方米；2.5 毫克（氟）/立方米

反应信息

• 作为反应物：
  描述：

  氟化铊(I) 、 [RuCl((S,S)-3,4-bis(diphenylphosphino)butane)]PF6 以 氘代氯仿 为溶剂， 生成 [Tl(μ-F)2Ru((S,S)-3,4-bis(diphenylphosphino)butane)]PF6
  参考文献：
  名称：

  通过卤化物与16-电子钌（II）配合物的交换进行催化氟化。[Tl（μ-F）2 Ru（dppe）2 ] PF 6的X射线结构

  摘要：

  16电子钌（II）络合物[RuCl（dppe）2 ] PF 6（2 ; dppe = 1,2-双（二苯基膦基）乙烷），[RuCl（chiraphos）2 ] PF 6（3 ; chiraphos =（S ，S）-3,4-双（二苯基膦基）丁烷），和将[RuCl（PNNP）] PF 6（4 ; PNNP =（1 S， 2小号） - N，N- ' -双[2-（二苯基膦基）亚苄基[二氨基环己烷）以低至1mol％的催化剂催化活化的烷基卤化物的亲核氟化。卤代烷（CH 3）3 CX（X = Br，5c ; X = I，5d），Ph 2 CHBr（6c）和PhCH（Me）Br（7c）在作为氟化物来源的TlF存在下转化为氟类似物。产率在31％至83％之间。手性络合物4在24小时后以49％的产率将7c转化为PhCH（Me）F（7a）。在1％的转化率下，7a是非消旋的（16％ee），这表明发生了动力学拆分，尽管含量很低。1

  DOI：

  10.1021/om010288g

文献信息

• Catalytic Fluorination by Halide Exchange with 16-Electron Ruthenium(II) Complexes. X-ray Structure of [Tl(μ-F)₂Ru(dppe)₂]PF₆
  作者：Peter Barthazy、Antonio Togni、Antonio Mezzetti

  DOI：10.1021/om010288g

  日期：2001.8.1

  ruthenium(II) complexes [RuCl(dppe)2]PF6 (2; dppe = 1,2-bis(diphenylphosphino)ethane), [RuCl(chiraphos)2]PF6 (3; chiraphos = (S,S)-3,4-bis(diphenylphosphino)butane), and [RuCl(PNNP)]PF6 (4; PNNP = (1S,2S)-N,N‘-bis[2-(diphenylphosphino)benzylidene]diaminocyclohexane) catalyze the nucleophilic fluorination of activated alkyl halides with a catalyst loading as low as 1 mol %. The alkyl halides (CH3)3CX

  16电子钌（II）络合物[RuCl（dppe）2 ] PF 6（2 ; dppe = 1,2-双（二苯基膦基）乙烷），[RuCl（chiraphos）2 ] PF 6（3 ; chiraphos =（S ，S）-3,4-双（二苯基膦基）丁烷），和将[RuCl（PNNP）] PF 6（4 ; PNNP =（1 S， 2小号） - N，N- ' -双[2-（二苯基膦基）亚苄基[二氨基环己烷）以低至1mol％的催化剂催化活化的烷基卤化物的亲核氟化。卤代烷（CH 3）3 CX（X = Br，5c ; X = I，5d），Ph 2 CHBr（6c）和PhCH（Me）Br（7c）在作为氟化物来源的TlF存在下转化为氟类似物。产率在31％至83％之间。手性络合物4在24小时后以49％的产率将7c转化为PhCH（Me）F（7a）。在1％的转化率下，7a是非消旋的（16％ee），这表明发生了动力学拆分，尽管含量很低。1