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| 中文名 | (4R,5R)-(-)-2,2-二甲基-alpha,alpha,alpha’,alpha’-四苯基-1,3-二氧戊环-4,5-二甲醇并[1,2-双(二甲氧基)乙烷]二氯化钛(IV) |
|---|---|
| 英文名 | acetonitrile,cyclohexa-1,3-dien-1-yl-[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanol,dichlorotitanium,1,2-dimethoxyethane |
| 中文别名 |
(4R,5R)-(-)-2,2-二甲基-ALPHA,ALPHA,ALPHA',ALPHA'-四苯基-1,3-二氧戊环-4,5-二甲醇并[1,2-双(二甲氧基)乙烷]二氯化钛(IV)
(4R,5r)-(-)-2,2-二甲基-alpha,alpha,alpha,alpha-四苯基-1,3-二氧戊环-4,5-d |
| 分子式 | C37H43Cl2NO6Ti |
|---|---|
| 分子量 | 716.51300 |
| 精确质量 | 715.19500 |
| PSA | 79.17000 |
| LogP | 8.77208 |
| 储存条件 | 密封于阴凉干燥环境中 |
| 稳定性 | 遵照规定使用和储存则不会分解。 |
| 分子结构 | 1、摩尔折射率：无可用 2、 摩尔体积（cm3/mol）：无可用 3、 等张比容（90.2K）：无可用 4、 表面张力（dyne/cm）：无可用 5、 极化率：无可用 |
| 计算化学 | 1、 疏水参数计算参考值（XlogP）：2.9 2、 氢键供体数量：0 3、 氢键受体数量：2 4、 可旋转化学键数量：1 5、 拓扑分子极性表面积（TPSA）：12.5 6、 重原子数量：15 7、 表面电荷：0 8、 复杂度：213 9、 同位素原子数量：0 10、 确定原子立构中心数量：0 11、 不确定原子立构中心数量：2 12、 确定化学键立构中心数量：0 13、 不确定化学键立构中心数量：0 14、 共价键单元数量：1 |
| 更多 | 1. 性状：无可用 2. 密度（g/mL,25/4℃）：无可用 3. 相对蒸汽密度（g/mL,空气=1）：无可用 4. 熔点（ºC）：无可用 5. 沸点（ºC,常压）：无可用 6. 沸点（ºC,5.2kPa）：无可用 7. 折射率：无可用 8. 闪点（ºC）：无可用 9. 比旋光度（º）：无可用 10. 自燃点或引燃温度（ºC）：无可用 11. 蒸气压（kPa,25ºC）：无可用 12. 饱和蒸气压（kPa,60ºC）：无可用 13. 燃烧热（KJ/mol）：无可用 14. 临界温度（ºC）：无可用 15. 临界压力（KPa）：无可用 16. 油水（辛醇/水）分配系数的对数值：无可用 17. 爆炸上限（%,V/V）：无可用 18. 爆炸下限（%,V/V）：无可用 19. 溶解性：无可用 |
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Section 1: Product Identification (4R,5R)-(-)-2,2-Dimethyl-alpha-alpha-alpha'-alpha'-tetraphenyl-1,3-dioxolane-4,5-dimethanolato[1,2-bis(dimeth Chemical Name: oxy)ethane]titanium (IV) dichloride acetonitrile adduct CAS Registry Number:328123-04-2 Formula:[C31H28O4][C4H10O2]TiCl2.CH3CN EINECS Number:none
Chemical Family:organometallic complex Synonym:Tetraphenyl-TADDOL-DME-titaniumdichloride Section 2: Composition and Information on Ingredients IngredientCAS NumberPercentACGIH (TWA)OSHA (PEL) Title compound328123-04-2100%no datano data Section 3: Hazards Identification Emergency Overview:Irritating to skin, eyes and respiratory tract. With moisture , may liberate irritating fumes of hydrogen chloride. Primary Routes of Exposure:Inhalation, skin, eyes Eye Contact:Dust and vapors cause moderate irritation of the eyes. Skin Contact:Causes moderate irritation of the skin. Inhalation:Inhalation causes irritation to the nose, mucous membranes and respiratory tract. Ingestion:No specific information is available on the physiological effects of ingestion. May be harmful if swallowed. Acute Health Affects:Exposure to moisture slowly produces hydrochloric acid. Irritating to skin, eyes and respiratory tract. Chronic Health Affects:No information 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:no data Autoignition Temperature:none Explosion Limits:none Extinguishing Medium:carbon dioxide, dry powder or foam. Fire fighters should be equipped with a NIOSH approved positive pressure self-contained breathing apparatus Special Fire Fighting Procedures: 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 hazard. SECTION 6: Accidental Release Measures Small spills can be mixed with lime, sodium carbonate or other suitable non combustible neutralizing Spill and Leak Procedures: adsorbent and swept up. SECTION 7: Handling and Storage Keep material in a tightly sealed container. Exposure to the air or moisture will result in degradation of the Handling and Storage: product. Handle and store material under an inert atmosphere of nitrogen or argon. 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 gloves. Ventilation:Handle the material in an efficient fume hood. If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator Respirator: Protection Program to be in compliance with 29 CFR 1910.134. Ventilation:Handle the material in an efficient fume hood. Additional Protection:No additional protection required. SECTION 9: Physical and Chemical Properties Color and Form:white xtl. Molecular Weight:673.45(714.50) Melting Point:no data 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, moisture sensitive Hazardous Polymerization:no hazardous polymerization Conditions to Avoid:none Incompatibility:strong oxidizing agents Decomposition Products:carbon monoxide, carbon dioxide, hydrochloric acid, organic vapors, metal oxides 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 federal, state, and local 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 |
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生态学数据: 该物质对环境可能有危害，对水体应给予特别注意。
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