139220-25-0 (2,6-二异丙基苯酰亚胺 新值二烯双己基叔丁醇钼,Schrock's catalyst)

CAS号:
139220-25-0
中文名称:
2,6-二异丙基苯酰亚胺 新值二烯双己基叔丁醇钼
英文名称:
Schrock's catalyst
分子式:
C30H37F12MoNO2
分子量:
767.541133642197

2,6-二异丙基苯酰亚胺 新值二烯双己基叔丁醇钼(139220-25-0)名称与标识符

名称

中文别名:
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);α-羟基阿普唑仑-d5;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);2,6-二异丙基苯酰亚胺 新值二烯双己基叔丁醇钼;2,6-二异丙基苯酰亚胺 新值二烯双己基叔丁醇钼;
英文别名:
2,6-Diisopropylphenylimido neophylidenemolybdenum(VI) bis(hexafluoro-t-butoxide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum,1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;2,6-DIISOPROPYLPHENYLIMIDONEOPHYLIDENE MOLYBDENUM (VI) BIS(HEXAFLUORO-T-BUTOXIDE) SCHROCK'S CATALYST;{(2-methyl-2-phenyl-propylidene)((2,6-diisopropylphenyl)imido)molybdenum(VI)bis(hexafluoro-tert-butoxide)};2,6-Diisopropylphenylimidoneophylidene molybdenum(VI) bis(hexafluoro-t-butoxide) ?SCHROCK'S CATALYST;2,6-Diisopropylphenylimidoneophylidene molybdenum(VI) bis(hexafluoro-t-butoxide) SCHROCK'Mo(N(2,6-iPrC6H3))(CHCMe2Ph)(OCMe(CF3)2)2;Mo(N-2,6-iPr2C6H3)(CHCMe2Ph)(OCMe(CF3)2)2;S CATALYST;SCHROCK'S CATALYST;2,6-Diisopropylphenylimidoneophylidenemolybdenum(VI) bis(hexafluoro-tert-butoxide);[2,6-Bis(1-methylethyl)benzenaminato(2-)]bis(1,1,1,3,3,3-hexafluoro-2-methyl-2-propanolato-κO)(2-methyl-2-phenylpropylidene)-;139220-25-0;2,6-Diisopropylphenylimidoneophylidene molybdenum(VI) bis(hexafluoro-t-butoxide);N-(2,6-diisopropylphenyl)-1,1-bis((1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy)-1-(2-methyl-2-phenylpropylidene)molybdenumimine;2,6-Diisopropylphenylimidoneophylidene molybdenum(VI) bis(hexafluoro-t-butoxide) SCHROCK'S CATALYST;CS-0111802;schrock-catalyst;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;2,6-Diisopropylphenylimido neophylidenemolybdenum(VI) bis(hexafluoro-t-butoxide), paraffin pellet;SCHEMBL1634829;

标识符

MDL:
MFCD00269857
InChIKey:
SKVDWEMQFYIDCB-UHFFFAOYSA-N
Inchi:
1S/C12H17N.C10H12.2C4H4F6O.Mo/c1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-10(2,3)9-7-5-4-6-8-9;2*1-2(11,3(5,6)7)4(8,9)10;/h5-9H,1-4H3;1,4-8H,2-3H3;2*11H,1H3;
SMILES:
[Mo](=CC(C)(C)C1C=CC=CC=1)=NC1C(=CC=CC=1C(C)C)C(C)C.FC(C(C)(C(F)(F)F)O)(F)F.FC(C(C)(C(F)(F)F)O)(F)F

2,6-二异丙基苯酰亚胺 新值二烯双己基叔丁醇钼(139220-25-0)物化性质

实验特性

  • LogP : 11.31470
  • PSA : 30.82000
  • 颜色与性状 : 未确定
  • 溶解性 : 未确定
  • 敏感性 : air sensitive, moisture sensitive, store cold

计算特性

  • 精确分子量 : 767.15300
  • 氢键供体数量 : 2
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 7
  • 同位素质量 : 769.168671g/mol
  • 重原子数量 : 46
  • 复杂度 : 207
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 0.7
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 42.7

2,6-二异丙基苯酰亚胺 新值二烯双己基叔丁醇钼(139220-25-0)安全信息

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2,6-二异丙基苯酰亚胺 新值二烯双己基叔丁醇钼(139220-25-0) MSDS

基础信息


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