四乙醇乙酰丙酮钽(V)

四乙醇乙酰丙酮钽(V) 基本信息
CAS号 20219-33-4 分子式 C13H27O6Ta
分子量 460.29800 精确质量  460.12900
PSA  63.22000 LogP  2.90890

基本信息 展开↓

CAS号:
20219-33-4
分子式:
C13H27O6Ta
分子量:
460.29800
中文名称:
四乙醇乙酰丙酮钽(V)
英文名称:
TANTALUM(V) TETRAETHOXIDE 2,4-PENTANEDIONATE
中文别名:
四乙醇乙酰丙酮钽(V);
四乙醇乙酰丙酮钽
英文别名:
TANTALUM(V) TETRAETHOXIDE 2,4-PENTANEDIONATE;
TANTALUM V TETRAETHOXIDE PENTANEDIONATE;
Tantalum(V) tetraethoxide 2,4-pentanedionate,99.,(metals basis);
TANTALUM (V) TETRAETHOXYACETYLACETONATE;
Tantalum(V)tetraethoxyacetylacetonate(99.-Ta)PURATREM
精确分子量/精确质量:
460.12900
极性分子表面积/PSA:
63.22000
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:
MFCD00145349
PubChem:
24860315

物化性质展开↓

密度:
1.5 g/cm3
熔点:
45ºC
沸点:
95ºC at 0,5mm
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

避免接触氧化物,卤化物,水分

其它信息:

1. 性状:未确定

2. 密度(g/mL,25/4):1.5

3. 相对蒸汽密度(g/mL,空气=1未确定

4. 熔点(ºC):45

5. 沸点(ºC,常压):95°C 0,5mm

6. 沸点(ºC,5.2kPa): 未确定

7. 折射率: 未确定

8. 闪点(ºC): 95°C/0.5mm

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:未确定

安全信息展开↓

包装等级:
II
风险类别:
4.1
危险类别码:
36/37/38
安全说明:
26-36/37/39
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。
:

毒理性展开↓

生态数据:

通常来说对水是不危害的,若无政府许可,勿将材料排入周围环境。

MSDS 展开↓


Section 1: Product Identification
   Chemical Name:       Tantalum (V) (tetraethoxy)(acetylacetonate) (99.99+%-Ta) PURATREM    
   CAS Registry Number:       20219-33-4    
   Formula:       Ta(OC2H5)4(CH3COCHCOCH3)    
   EINECS Number:       none    
   Chemical Family:       metal beta-diketonate complexes    
   Synonym:       tantalumacetylacetone ethanolate.    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title compound       20219-33-4       100%       5mg/m3(Ta)       5mg/m3(Ta)    

Section 3: Hazards Identification
   The dust may irritate the skin, eyes, and respiratory system. Moisture will produce ethanol vapor which may
   Emergency Overview:
   cause drowsiness.
   Primary Routes of Exposure:       Inhalation, ingestion, contact with skin and eyes.    
   Eye Contact:       The dust and ethanol hydrolysis product may cause moderate irritation of the eyes.    
   Skin Contact:       Solid may cause mild irritation of the skin.    
   Dust may cause moderate irritation to the upper respiratory tract. Ethanol vapor may cause dizziness and
   Inhalation:
   drowsiness
   Ingestion:       Ingestion may cause gastrointestinal distress, nausea, vomiting and headache.    
   May be irritating to skin, eyes and respiratory tract. Exposure may cause impairment of coordination and
   Acute Health Affects:
   reaction time.
   No data is available for this product. Prolonged exposure to ethanol vapors may be harmful to nerves and
   Chronic Health Affects:
   liver.
   NTP:       No    
   IARC:       No    
   OSHA:       No    

SECTION 4: First Aid Measures
   Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need
   Eye Exposure:
   assistance in keeping their eye lids open. Get immediate medical attention.
   Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if
   Skin Exposure:
   irritation persists.
   Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty in
   Inhalation:
   breathing, coughing, wheezing or pain. In such cases seek immediate medical assistance.
   Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce
   Ingestion:
   vomiting only if directed by medical personnel.

SECTION 5: Fire Fighting Measures
   Flash Point:       no data    
   Autoignition Temperature:       no data    
   Explosion Limits:       no data    
   Extinguishing Medium:       carbon dioxide, dry powder or foam.    
   If involved in a fire, fire fighters should be equipped with NIOSH approved positive pressure self-contained
   Special Fire Fighting Procedures:
   breathing apparatus and full protective clothing.
   Hazardous Combustion and       If involved in a fire this material may release toxic fumes.    
   Decomposion Products:
   Unusual Fire or Explosion Hazards: Flammable solid. Formation of explosive air/solid mixtures is possible.

SECTION 6: Accidental Release Measures
   Eliminate all ignition sources. Do not raise dust. Small spills may be adsorbed into diatomaceous earth, sand,
   Spill and Leak Procedures:
   or other suitable adsorbent, and swept up.

SECTION 7: Handling and Storage
   Store in a tightly sealed container in a dry place. If container is left open, product may adsorb moisture from
   Handling and Storage:
   the atmosphere and release ethanol vapor.

SECTION 8: Exposure Controls and Personal Protection
   Eye Protection:       Always wear approved safety glasses when handling a chemical substance in the laboratory.    
   Skin Protection:       Wear protective clothing and gloves. Consult with glove manufacturer to determine the proper type of glove.    
   Ventilation:       Material may form a fine dust. If possible, handle the material in an efficient fume hood.    
   If ventilation is not available a respirator should be worn. The use of respirators requires a Respiratory
   Respirator:
   Protection Program to be in compliance with 29 CFR 1910.134.
   Ventilation:       Material may form a fine dust. If possible, handle the material in an efficient fume hood.    
   Additional Protection:       No additional protection required.    

SECTION 9: Physical and Chemical Properties
   Color and Form:       yellow solid    
   Molecular Weight:       460.3    
   Melting Point:       45°    
   Boiling Point:       95°C /.5mm    
   Vapor Pressure:       no data    
   Specific Gravity:       1.5    
   Odor:       alcohol-like odor    
   Solubility in Water:       reacts with water    

SECTION 10: Stability and Reactivity
   Stability:       moisture sensitive    
   Hazardous Polymerization:       No hazardous polymerization.    
   Conditions to Avoid:       Keep away from moisture, heat and ignition sources including open flame and electrostatic discharge.    
   Incompatibility:       Water, active metals and halogens    
   Decomposition Products:       carbon monoxide, carbon dioxide, tantalum oxide, organic fumes.    

SECTION 11: Toxicological Information
   RTECS Data:       No information available in the RTECS files.    
   Carcinogenic Effects:       no data    
   Mutagenic Effects:       no data    
   Tetratogenic Effects:       no data    

SECTION 12: Ecological Information
   Ecological Information:       No information available    

SECTION 13: Disposal Considerations
   Disposal:       Dispose of according to local, state and federal regulations.    

SECTION 14: Transportation
   Shipping Name (CFR):       Flammable solids, Organic, N.O.S.    
   Hazard Class (CFR):       4.1    
   Additional Hazard Class (CFR):       NA    
   Packaging Group (CFR):       II    
   UN ID Number (CFR):       UN# 1325    
   Shipping Name (IATA):       Flammable solid, Organic, N.O.S.    
   Hazard Class (IATA):       4.1    
   Additional Hazard Class (IATA):       NA    
   Packaging Group (IATA):       II    
   UN ID Number (IATA):       UN# 1325    

SECTION 15: Regulatory Information
   TSCA:       Not listed in the TSCA inventory    
   SARA (Title 313):       Title compound not listed.    
   Second Ingredient:       none    


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:2.1

2、 氢键供体数量:1

3、 氢键受体数量:2

4、 可旋转化学键数量:1

5、 互变异构体数量:

6、 拓扑分子极性表面积(TPSA:35.3

7、 重原子数量:10

8、 表面电荷:0

9、 复杂度:105

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

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