2,6-二异丙基苯基亚氨基叔丁基亚苯基钼(Ⅵ)双(六氟叔丁醇化物)

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

2,6-二异丙基苯基亚氨基叔丁基亚苯基钼(Ⅵ)双(六氟叔丁醇化物) 基本信息

中文名称:
2,6-二异丙基苯基亚氨基叔丁基亚苯基钼(Ⅵ)双(六氟叔丁醇化物) 
中文别名:
2,6-二异丙基苯酰亚胺 新值二烯双己基叔丁醇钼;
2,6-二异丙基苯基亚氨基叔丁基亚苯基钼(Ⅵ)双(六氟叔丁醇化物);
2,6-二异丙基苯基亚氨基叔丁基亚苯基钼(VI)双(六氟叔丁醇化物) 
英文名称:
2,6-diisopropylphenylimido neophylidenemolybdenum(Ⅵ)bis(hexafluoro-t-butoxide)
英文别名:
[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum,1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;
Mo(N(2,6-iPrC6H3))(CHCMe2Ph)(OCMe(CF3)2)2;
{(2-methyl-2-phenyl-propylidene)((2,6-diisopropylphenyl)imido)molybdenum(VI)bis(hexafluoro-tert-butoxide)};
SCHROCK'S CATALYST;
2,6-Diisopropylphenylimidoneophylidene molybdenum(VI) bis(hexafluoro-t-butoxide) ?SCHROCK'S CATALYST;
Mo(N-2,6-iPr2C6H3)(CHCMe2Ph)(OCMe(CF3)2)2;
2,6-DIISOPROPYLPHENYLIMIDO NEOPHYLIDENEMOLYBDENUM(VI) BIS(HEXAFLUORO-T-BUTOXIDE);
(2,6-diisopropylphenylimidoneophylidenemolybdenium (VI) bis(hexafluorotert-butoxide)) 
CAS No.:
139220-25-0
分 子 式:
C30H35NO2F12Mo
分 子 量:
765.53
精确分子量:
767.15300
PSA:
30.82000
InChI:
The Key: SREMDTDVHCUUIZ-UHFFFAOYSA-N
风险术语:
R36/37/38
安全术语:
S26S36/S37/S39
分子结构式:
SDS:
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2,6-二异丙基苯基亚氨基叔丁基亚苯基钼(Ⅵ)双(六氟叔丁醇化物) 物化性质

其它信息:

1.        性状:未确定

2.         密度(g/mL,20):未确定

3.         相对蒸汽密度(g/mL,空气=1):未确定

4.         熔点(ºC):未确定

5.         沸点(ºC,常压):未确定

6.         沸点(ºC, KPa):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(Pa,20ºC):未确定

12.      饱和蒸气压(KPa,20ºC):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

2,6-二异丙基苯基亚氨基叔丁基亚苯基钼(Ⅵ)双(六氟叔丁醇化物) 安全信息

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。
:

2,6-二异丙基苯基亚氨基叔丁基亚苯基钼(Ⅵ)双(六氟叔丁醇化物) MSDS


Section 1: Product Identification
   2,6-Diisopropylphenylimido neophylidenemolybdenum(VI) bis(hexafluoro-t-butoxide) SCHROCK'S CATALYST
   Chemical Name:
   CAS Registry Number:       139220-25-0    
   Formula:       Mo(C10H12)(C12H17N)[OC(CH3)(CF3)2]2    
   EINECS Number:       none    
   Chemical Family:       organometallic complexes    
   Synonym:       Schrock's catalyst    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title compound       139220-25-0       100%       10mg/m3( as Mo)       15mg/m3 (as Mo)    

Section 3: Hazards Identification
   Emergency Overview:       May be irritating to skin, eyes and mucous membranes.    
   Primary Routes of Exposure:       Ingestion, inhalation    
   Eye Contact:       May cause mild to moderate irritation of the eyes.    
   Skin Contact:       May cause slight to mild irritation of the skin.    
   Inhalation:       Dust may be irritating to the nose, mucous membranes and respiratory tract.    
   Ingestion:       No specific information is available on the physiological effects of ingestion.    
   Acute Health Affects:       Dust may be irritating to skin, eyes and respiratory tract.    
   No information available on long-term chronic effects. Product contains fluorine which may generate fluoride
   Chronic Health Affects:
   ion causing hypocalcaemia, deterioration of bone and tooth structure, kidney and liver damage.
   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 emit toxic organic fumes.    
   Decomposion Products:
   Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

SECTION 6: Accidental Release Measures
   Small spills can be mixed with vermiculite, sodium carbonate or other suitable non combustible adsorbent and
   Spill and Leak Procedures:
   swept up.

SECTION 7: Handling and Storage
   Handling and Storage:       Handle and store the material under an inert atmosphere of nitrogen or argon. Keep away from heat.    

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:       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 to orange powder    
   Molecular Weight:       765.53    
   Melting Point:       no data    
   Boiling Point:       no data    
   Vapor Pressure:       no data    
   Specific Gravity:       no data    
   Odor:       not determined    
   Solubility in Water:       reacts with water    

SECTION 10: Stability and Reactivity
   Stability:       air and moisture sensitive (store cold)    
   Hazardous Polymerization:       No hazardous polymerization.    
   Conditions to Avoid:       contact with air and moisture    
   Incompatibility:       oxidizing agents and halogens    
   Decomposition Products:       carbon monoxide, carbon dioxide, organic fumes and molybdenum oxide.    

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


SECTION 16 - ADDITIONAL INFORMATION
N/A

2,6-二异丙基苯基亚氨基叔丁基亚苯基钼(Ⅵ)双(六氟叔丁醇化物) 分子结构与计算化学数据

分子结构数据

1、摩尔折射率:无可用的

2、摩尔体积(cm3/mol):无可用的

3、等张比容(90.2K):无可用的

4、表面张力(dyne/cm):无可用的

5、介电常数:无可用的

6、极化率(10-24cm3):无可用的

7、单一同位素质量:767.153025 Da

8、标称质量:767 Da

9、平均质量:765.5252 Da

计算化学数据

1   疏水参数计算参考值(XlogP):0.7

2   氢键供体数量:0

3   氢键受体数量:3

4   可旋转化学键数量:2

5   互变异构体数量:

6   拓扑分子极性表面积(TPSA):42.7

7   重原子数量:13

8   表面电荷:0

9   复杂度:207

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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