2,6-diisopropylphenylimido neophylidenemolybdenum(Ⅵ)bis(hexafluoro-t-butoxide)
- 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)
- 中文释义：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
- 分子结构式：
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
安全信息
- 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
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
IngredientCAS NumberPercentACGIH (TWA)OSHA (PEL)
Title compound139220-25-0100%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 andIf 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
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
