139220-25-0

• 常用中文名：[2,6-双(1-甲基乙基)苯甲酰胺基(2-)]双(1,1,1,3,3,3-六氟-2-甲基-2-丙醇基-κO)(2-甲基-2-苯丙叉)-,(T-4)钼,石蜡颗粒
• 常用英文名：2,6-Diisopropylphenylimidoneophylidene molybdenum(VI) bis(hexafluoro-t-butoxide)
• CAS号：139220-25-0
• 分子式：C₃₀H₃₅F₁₂MoNO₂
• 分子量：765.54500
• 发布时间：2018-12-22 18:19:06
• 更新时间：2024-01-19 23:05:43

名称

• 中文名: 2,6-二异丙基苯酰亚胺 新值二烯双己基叔丁醇钼
• 英文名: [2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum,1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol
• 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); 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: 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))

物化性质

• 分子式: C₃₀H₃₅F₁₂MoNO₂
• 分子量: 765.54500
• 精确质量: 767.15300
• PSA: 30.82000
• LogP: 11.31470
• 储存条件: 2-8°C， 充氩
• 分子结构:

  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:

  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

• 更多:

  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

安全

• 风险声明 (欧洲): 36/37/38
• 安全声明 (欧洲): 26-36/37/39