dibutyltin bis(2,4-pentanedionate)

  • 中文别名:二正丁基双(乙酰丙酮基)锡
  • 中文释义: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
  • 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-
  • 分子结构式:

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

安全信息

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

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

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
IngredientCAS NumberPercentACGIH (TWA)OSHA (PEL)
Title Compound22673-19-4100%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 andcarbon 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

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