羰酰二氢三(三苯基膦)铱(I)

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学

羰酰二氢三(三苯基膦)铱(I) 基本信息

中文名称:
羰酰二氢三(三苯基膦)铱(I) 
中文别名:
羰酰二氢三(三苯基膦)铱(I);
羰基三(三苯基膦)氢化铱(I);
三(三苯基膦)羰基氢化铱(I);
羰基三(三苯基磷)氢化铱;
羰基氢化三(三苯基膦)铱(I);
羰基三(三苯基膦)氢化銥(I) 
英文名称:
Iridium,carbonylhydrotris(triphenylphosphine)-
英文别名:
Carbonylhydridotris(triphenylphosphine)iridium(I);
Hydridocarbonyltris(triphenylphosphine)iridium(I);
Carbonyltris(triphenylphosphine)iridium(I) hydride;
Tris(triphenylphosphine)iridium(I) Carbonyl Hydride;
HYDRIDOCARBONYLTRIS(TRIPHENYLPHOSPHINE)IRIDIUM (I) 
CAS No.:
17250-25-8
分 子 式:
C55H46IrOP3
分 子 量:
1008.09
精确分子量:
1007.23000
PSA:
40.77000
MDL:
MFCD00015525
EINECS:
241-282-7
InChI:
InChI=1/3C18H15P.CO.Ir/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;/h3*1-15H;;
风险术语:
R36/37/38
安全术语:
S36/37/39
分子结构式:
SDS:
查看

羰酰二氢三(三苯基膦)铱(I) 物化性质

外观与性状:
淡黄色粉末
熔点:
170ºC (dec.)
沸点:
360ºC at 760mmHg
闪点:
181.7ºC
蒸汽压:
4.74E-05mmHg at 25°C
存储条件/存储方法:

常温密闭避光,通风干燥惰性气体下

稳定性相关:

常温常压下稳定

避免的物料:水分/潮湿 氧化物 酸 空气

其它信息:

1.       性状:不确定

2.       密度(g/mL,25/4):不确定

3.       相对蒸汽密度(g/mL,空气=1):不确定

4.       熔点(ºC):170

5.       沸点(ºC,常压):不确定

6.       沸点(ºC, 5.2kPa):不确定

7.       折射率:不确定

8.       闪点(ºC):不确定

9.       比旋光度(º):不确定

10.    自燃点或引燃温度(ºC):不确定

11.    蒸气压(kPa,25ºC):不确定

12.    饱和蒸气压(kPa,60ºC):不确定

13.    燃烧热(KJ/mol):不确定

14.    临界温度(ºC):不确定

15.    临界压力(KPa):不确定

16.    油水(辛醇/水)分配系数的对数值:不确定

17.    爆炸上限(%,V/V):不确定

18.    爆炸下限(%,V/V):不确定

19.    溶解性:不确定

羰酰二氢三(三苯基膦)铱(I) 安全信息

包装等级:
III
风险类别:
4.3
危险类别码:
R36/37/38
安全说明:
26-36/37/39
安全标志:
:
危险标志:
Xn

羰酰二氢三(三苯基膦)铱(I) 毒理性

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。

羰酰二氢三(三苯基膦)铱(I) MSDS


Section 1: Product Identification
   Chemical Name:       Hydridocarbonyltris(triphenylphosphine)iridium (I), 99%    
   CAS Registry Number:       17250-25-8    
   Formula:       IrH(CO)[(C6H5)3P]3    
   EINECS Number:       none    
   Chemical Family:       metal carbonyl complexes    
   Synonym:       none    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       17250-25-8       100%       no data       no data    

Section 3: Hazards Identification
   Emergency Overview:       Irritating to skin, eyes and respiratory tract.    
   Primary Routes of Exposure:       Ingestion, inhalation, skin, eyes    
   Eye Contact:       Causes slight or mild irritation of the eyes.    
   Skin Contact:       Causes slight to mild irritation of the skin.    
   Inhalation:       Irritating to the nose, mucous membranes and respiratory tract.    
   Ingestion:       No information on the physiological effects of ingestion.    
   Acute Health Affects:       Irritating to skin, eyes and respiratory tract.    
   Chronic Health Affects:       No information available on long-term chronic 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 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
   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 only if directed by medical personnel.

SECTION 5: Fire Fighting Measures
   Flash Point:       not applicable    
   Autoignition Temperature:       none    
   Explosion Limits:       none    
   Extinguishing Medium:       carbon dioxide, foam or dry powder    
   If this product is involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure
   Special Fire Fighting Procedures:
   self-contained breathing apparatus and full protective clothing.
   Hazardous Combustion and       If involved in a fire this material may emit irritating fumes.    
   Decomposion Products:
   Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

SECTION 6: Accidental Release Measures
   Spill and Leak Procedures:       Small spills can be mixed with vermiculite or sodium carbonate and swept up.    

SECTION 7: Handling and Storage
   Handling and Storage:       Store in a tightly sealed container. Keep away from heat and direct sunlight.    

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.    
   Ventilation:       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:       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:       light yellow pwdr.    
   Molecular Weight:       1008.12    
   Melting Point:       170° dec.    
   Boiling Point:       no data    
   Vapor Pressure:       no data    
   Specific Gravity:       no data    
   Odor:       none    
   Solubility in Water:       insoluble    

SECTION 10: Stability and Reactivity
   Stability:       air sensitive    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       prolonged contact with air.    
   Incompatibility:       oxidizing agents    
   Decomposition Products:       carbon dioxide, carbon monoxide, organic fumes, phosphorous pentoxide, and iridium compounds.    

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

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 in the TSCA inventory.    
   SARA (Title 313):       Title compound not listed.    
   Second Ingredient:       none    


SECTION 16 - ADDITIONAL INFORMATION
N/A

羰酰二氢三(三苯基膦)铱(I) 分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值(XlogP):2.8

2.氢键供体数量:1

3.氢键受体数量:3

4.可旋转化学键数量:1

5.互变异构体数量:无

6.拓扑分子极性表面积47.6

7.重原子数量:18

8.表面电荷:0

9.复杂度:310

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:1

13.确定化学键立构中心数量:1

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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