氟化铝,三水

氟化铝,三水 基本信息
CAS号 15098-87-0 分子式 AlF3H6O3
分子量 138.02300 精确质量  138.00800
PSA  27.69000 LogP  1.06770

基本信息 展开↓

CAS号:
15098-87-0
3D弹球模型:
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分子式:
AlF3H6O3
分子量:
138.02300
中文名称:
氟化铝,三水
英文名称:
Aluminum Fluoride Trihydrate
中文别名:
氟化铝,三水;
三水氟化铝
英文别名:
Aluminum Fluoride Trihydrate;
Aluminum fluoride trihydrate;
Aluminium fluoride trihydrate;
aluminum,trifluoride,trihydrate
精确分子量/精确质量:
138.00800
极性分子表面积/PSA:
27.69000
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:
MFCD00003426
EINECS:
232-051-1
PubChem:
24854137
InChI:
InChI=1/Al.3FH.3H2O/h;3*1H;3*1H2/q+3;;;;;;/p-3

生产制备方法及用途展开↓

制备方法


将纯的氢氧化铝溶解于过量的37%的氢氟酸进行反应,待反应结束后,滤去不溶物,然后再在100oC下蒸发反应不溶液(不可超过100oC)至全部结晶,用水洗涤数次,过滤,怪干即可。

合成制备方法


将纯的氢氧化铝溶解于过量的37%的氢氟酸进行反应,待反应结束后,滤去不溶物,然后再在100ºC下蒸发反应不溶液(不可超过100ºC)至全部结晶,用水洗涤数次,过滤,怪干即可。

用途简介


用作分析试剂、催化剂,乙醇生产中副发酵抑制剂。用于氟化物制备,白釉制造。

用途


用作分析试剂、催化剂,乙醇生产中副发酵抑制剂。用于氟化物制备,白釉制造。

物化性质展开↓

外观与性状:
白色粉末
密度:
2.88 g/mL at 25 °C(lit.)
存储条件/存储方法:

常温密闭避光,通风干燥

稳定性相关:

1.常温常压下稳定

2.避免的物料: 酸.微溶于热水,不溶于酸、碱和其它有机溶剂。有毒。在水溶液中合成的氟化铝,根据合成条件可成为以下各类型中之一种:AlF3·9H2O(在熔点21℃脱水)、AlF3·3.5H2O(有α型及β-型,在75℃以上脱水,β-型为水溶性)、AlF3·3H2O(有α-型及β-型,在75℃以上脱水,α型为水溶性)。如果将它们脱水,就经过AlF3·1.5H2O(150℃时脱水)、AlF3·H2O(210℃时脱水)、AlF3·0.5H2O(600℃时脱水)而转变为AlF3,但是在使其脱水时,由于自身水解一部分成为氟氧化铝Al7F7O7及氧化铝Al2O3,故纯度下降。氟化铝难溶于氢氟酸,但是,其水合物可以H3AlF6的形式而溶解。如果将氟化铝在真空中加热至700℃,可得一氟化铝AlF的白色升华物。

3.有毒,吸入或接触皮肤时有毒害。

其它信息:

1. 性状:白色结晶性粉末

2. 密度(g/mL,25/4℃):1.914

3. 相对蒸汽密度(g/mL,空气=1):未确定

4. 熔点(ºC):1291

5. 沸点(ºC,常压):未确定

6. 沸点(ºC,5.2kPa): 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(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: 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:难溶于水,酸及碱溶液,不溶于大部分有机溶液,也不溶于氢氟酸及液体氟化氢.

安全信息展开↓

包装等级:
III
风险类别:
8
WGK_Germany:
1
德国有关水污染物质的分类清单
危险类别码:
R22
安全说明:
S26
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
危险标志:
Xn: Harmful;Xi: Irritant;T: Toxic;

合成路线查看所有的合成路线

  • 798545-68-3

    cis-AlF2(H2O)4(1+)

  • +

  • 7664-39-3

    氢氟酸

  • 15098-87-0

    氟化铝,三水

毒理性展开↓

生态数据:

通常对水体是稍微有害的,不要将未稀释或大量产品接触地下水,水道或污水系统,未经政府许可勿将材料排入周围环境。

MSDS 展开↓

Name: Aluminum fluoride trihydrate 97% Material Safety Data Sheet
Synonym:
CAS: 15098-87-0
Section 1 - Chemical Product   MSDS Name:Aluminum fluoride trihydrate 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
15098-87-0 Aluminum fluoride trihydrate 97% unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. Chronic effects include excessive calcification of the bones, ligaments, and tendons.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Causes respiratory tract irritation. May cause salivation, nausea, vomiting, abdominal pain, fever, and labored breathing.
Chronic:
Chronic inhalation may cause nasal septum ulceration and perforation. Chronic effects include excessive calcification of the bones, ligaments, and tendons.

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 immediately.
Skin:
Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Get medical aid immediately.
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:

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. Substance is noncombustible.
Extinguishing Media:
Use extinguishing media most appropriate for the surrounding fire.

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. Wash area with soap and water. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Avoid contact with skin and eyes.
Avoid ingestion and inhalation. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container. Do not store in metal or glass containers.

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 only under a chemical fume hood.
Exposure Limits CAS# 15098-87-0: United States OSHA: 2.5 mg/m3 TWA (as F) (listed under Fluorides).2.5 mg/m3 TWA (as F) (listed under Fluorides).
France - VME: (listed as fluorides): 2.5 mg/m3 VME (as F) Germany: (listed as fluorides): 2.5 mg/m3 VME (as F) Malaysia: (listed as fluorides): 2.5 mg/m3 TWA (as F) Netherlands: (listed as fluorides): 3.5 mg/m3 STEL (as F) 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: white
Odor: None reported
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: slightly soluble in water
Specific Gravity/Density:
Molecular Formula: AlF3.3H2O
Molecular Weight: 138.02

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong acids; glass containers.
Hazardous Decomposition Products:
Hydrogen fluoride gas, aluminum oxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 15098-87-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Aluminum fluoride trihydrate - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 15098-87-0: 1
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 15098-87-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 15098-87-0 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↓

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:3

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3

7.重原子数量:7

8.表面电荷:0

9.复杂度:0

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:7

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  • 798545-68-3

    cis-AlF2(H2O)4(1+)

  • 7664-39-3

    氢氟酸

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