二正丁基双(乙酰丙酮基)锡

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学

二正丁基双(乙酰丙酮基)锡 基本信息

中文名称:
二正丁基双(乙酰丙酮基)锡 
中文别名:
二正丁基双(乙酰丙酮基)锡;
二丁基双(2,4-戊二酸根合-O,O’)-(OC-6-11)-锡;
双乙酰丙酮基二丁基锡 
英文名称:
dibutyltin bis(2,4-pentanedionate)
英文别名:
(Z)-4-oxopent-2-en-2-olate,pentane,tin(4+);
Tin,dibutylbis(2,4-pentanedionato-O,O')-,(OC-6-11);
Dibutylbis(pentane-2,4-dionato-O,O')tin;
Sn(acac)Bu2 
CAS No.:
22673-19-4
分 子 式:
C18H32O4Sn
分 子 量:
431.16
精确分子量:
432.13200
PSA:
52.60000
MDL:
MFCD00077994
EINECS:
245-152-0
InChI:
InChI=1/2C5H8O2.2C4H9.Sn/c2*1-4(6)3-5(2)7;2*1-3-4-2;/h2*3,6H,1-2H3;2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*4-3-;;;/rC8H18Sn.2C5H8O2/c1-3-5-7-9-8-6-4-2;2*1-4(6)3-5(2)7/h3-8H2,1-2H3;2*3,6H,1-2H3/q+2;;/p-2/b;2*4-3-
危险品标志:
HarmfulXn
风险术语:
R10;R63;R20/21/22;R36/37/38;
安全术语:
S16;S26;S36;
分子结构式:
SDS:
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二正丁基双(乙酰丙酮基)锡 制备方法及用途

合成制备方法


用途


二正丁基双(乙酰丙酮基)锡 物化性质

熔点:
26ºC
沸点:
132ºC (0.4 torr)
闪点:
71.9ºC
折射率:
n20/D 1.5110(lit.)
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

其它信息:

1. 性状:无色液体

2. 密度(g/mL,25/4):1.22

3. 相对蒸汽密度(g/mL,空气=1未确定

4. 熔点(ºC):26

5. 沸点(ºC,常压):150

6. 沸点(ºC,5.2kPa): 未确定

7. 折射率: 1.5110

8. 闪点(ºC): 130 °F

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

二正丁基双(乙酰丙酮基)锡 安全信息

包装等级:
II
风险类别:
6.1
危险类别码:
10-20/21/22-36/37/38-63
安全说明:
16-26-36
安全标志:
S16:远离火源。
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S36:穿戴合适的防护服装。
危险标志:
Xn: Harmful;

二正丁基双(乙酰丙酮基)锡 毒理性

毒理学数据:


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

二正丁基双(乙酰丙酮基)锡 MSDS


Section 1: Product Identification
   Chemical Name:       Di-n-butyltinbis(acetylacetonate)    
   CAS Registry Number:       22673-19-4    
   Formula:       (C4H9)2Sn(CH3COCHCOCH3)2    
   EINECS Number:       none    
   Chemical Family:       organotin compound    
   Synonym:       Di-n-butyltinbis(2,4-pentandionate)    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       22673-19-4       100%       0.1mg/m3 (as Sn-       0.1mg/m3 (as Sn-    

Section 3: Hazards Identification
   Irritating to skin, eyes and respiratory tract. Ingestion may lead to gastrointestinal cramps, nausea and
   Emergency Overview:
   diarrhea.
   Primary Routes of Exposure:       Ingestion, skin, eyes    
   Eye Contact:       Causes mild irritation of the eyes.    
   Causes slight to mild irritation of the skin. Prolonged contact may dry the skin and lead to rashes or more
   Skin Contact:
   severe irritation.
   Inhalation:       Irritating to the nose, mucous membranes and respiratory tract.    
   Ingestion:       Irritating to mouth throat and stomach. Ingestion may lead to gastrointestinal cramps, nausea and diarrhea.    
   Acute Health Affects:       Irritating to skin, eyes and respiratory tract.    
   Chronic Health Affects:       No information available on long term chromic effects.    
   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 will need
   Eye Exposure:
   assistance in keeping their eye lids open. Get immediate medical attention.
   Wash the affected area immediately with water. Remove contaminated clothing if necessary. Seek medical
   Skin Exposure:
   assistance if irritation persists.
   Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty
   Inhalation:
   in 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 if directed by medical personnel.

SECTION 5: Fire Fighting Measures
   Flash Point:       none    
   Autoignition Temperature:       not determined    
   Explosion Limits:       not determined    
   Extinguishing Medium:       dry chemical, carbon dioxide, water spray or foam.    
   If involved in a fire, fire fighters should be equipped with a NIOSH-approved positive pressure self-contained
   Special Fire Fighting Procedures:
   breathing and full protective clothing.
   Hazardous Combustion and       carbon dioxide, carbon monoxide, soot, organic fumes and tin compounds.    
   Decomposion Products:
   Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

SECTION 6: Accidental Release Measures
   Small spills can be absorbed into vermiculite or other suitable adsorbent. Larger spills must be contained in
   Spill and Leak Procedures:       order to avoid contamination of the soil, sewers systems or bodies of water. Absorb the material into clay,    
   sawdust or other suitable adsorbent.

SECTION 7: Handling and Storage
   Handling and Storage:       Store in a cool, dry, well-ventilated area away from heat and direct sunlight. Keep containers tightly sealed.    

SECTION 8: Exposure Controls and Personal Protection
   Always wear safety glasses. If pouring or transferring this substance wear a face shield for additional
   Eye Protection:
   protection.
   Skin Protection:       Wear protective clothing and gloves. Consult with glove manufacturer to determine the proper type of glove.    
   Ventilation:       Work with this product in a well-ventilated area, preferably a fume hood.    
   If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator
   Respirator:
   Protection Program to be in compliance with 29 CFR 1910.134
   Ventilation:       Work with this product in a well-ventilated area, preferably a fume hood.    
   Additional Protection:       No additional protection required.    

SECTION 9: Physical and Chemical Properties
   Color and Form:       pale yellow to amber liquid    
   Molecular Weight:       431.16    
   Melting Point:       26°    
   Boiling Point:       150°C /3mm    
   Vapor Pressure:       no data    
   Specific Gravity:       1.21    
   Odor:       mild odor    
   Solubility in Water:       Decomposes in water    

SECTION 10: Stability and Reactivity
   Stability:       air and moisture-stable liquid    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       None    
   Incompatibility:       Strong acids, strong oxidizing agents    
   Decomposition Products:       carbon dioxide, carbon monoxide, organic fumes and tin compounds.    

SECTION 11: Toxicological Information
   RTECS Data:       No specific information available in the RTECS files. Alkyltin compounds are generally considered toxic.    
   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):       Non-hazardous    
   Hazard Class (CFR):       NA    
   Additional Hazard Class (CFR):       NA    
   Packaging Group (CFR):       NA    
   UN ID Number (CFR):       NA    
   Shipping Name (IATA):       Non-hazardous    
   Hazard Class (IATA):       NA    
   Additional Hazard Class (IATA):       NA    
   Packaging Group (IATA):       NA    
   UN ID Number (IATA):       NA    

SECTION 15: Regulatory Information
   TSCA:       Listed on the TSCA inventory    
   SARA (Title 313):       not regulated by Title 313    
   Second Ingredient:       none    


SECTION 16 - ADDITIONAL INFORMATION
N/A

二正丁基双(乙酰丙酮基)锡 分子结构与计算化学数据

分子结构数据


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:6

5.互变异构体数量:15

6.拓扑分子极性表面积80.3

7.重原子数量:25

8.表面电荷:0

9.复杂度:99.9

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:2

14.不确定化学键立构中心数量:0

15.共价键单元数量:5

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