(4R,5R)-(-)-2,2-Dimethyl-Alpha

(4R,5R)-(-)-2,2-Dimethyl-Alpha 基本信息
CAS号 197389-47-2 分子式 C49H40Cl2N2O3Ti
分子量 823.62600 精确质量  822.19000
PSA  63.51000 LogP  12.77940

基本信息 展开↓

CAS号:
197389-47-2
分子式:
C49H40Cl2N2O3Ti
分子量:
823.62600
中文名称:
(4R,5R)-(-)-2,2-Dimethyl-Alpha
英文名称:
acetonitrile,dichlorotitanium,[(4R,5R)-5-[hydroxy(dinaphthalen-1-yl)methyl]-2,2-dimethyl-1,3-oxazolidin-4-yl]-dinaphthalen-1-ylmethanol
中文别名:
(4R,5R)-(-)-2,2-Dimethyl-Alpha;
[[(4R,5S)-2,2-二甲基-1,3-二氧杂戊环-4,5-二基]双(二-1-萘基甲醇)]二氯化钛
英文别名:
acetonitrile,dichlorotitanium,[(4R,5R)-5-[hydroxy(dinaphthalen-1-yl)methyl]-2,2-dimethyl-1,3-oxazolidin-4-yl]-dinaphthalen-1-ylmethanol;
(4R,5R)-(-)-2,2-DIMETHYL-A,A,A',A'-TETRA(1-NAPHTHYL)-1,3-DIOXOLANE-4,5-DIMETHANOLATOTITANIUM(IV) DICHLORIDE ACETONITRILE ADDUCT;
(4R,5R)-(-)-2,2-DIMETHYL-ALPHA,ALPHA,ALPHA',ALPHA'-TETRA(1-NAPHTHYL)-1,3-DIOXOLANE-4,5-DIMETHANOLATOTITANIUM (IV) DICHLORIDE ACETONITRILE;
(4R,5R)-(-)-2,2-Dimethyl-alpha,alpha,alpha',alpha'-tetra(1-naphthyl)-1,3-dioxolane-4,5-dimethanolatotitanium(IV)dichlorideacetonitrileadduct;
(4R,5R)-(-)-2,2-Dimethyl-a,a,a',a'-tetra(1-naphthyl)-1,3-dioxolane-4,5-dimethanolatotitanium(IV) dichloride acetonitrile adduct;
(4R,5R)-(-)-2,2-DiMethyl-α,α,α',α'-tetra(1-naphthyl)-1,3-dioxolane-4,5-diMethanolatotitaniuM(IV) dichloride acetonitrile adduct;
Dichloro[[(4R,5S)-2,2-dimethyl-1,3-dioxolane-4,5-diyl]bis(di-1-naphthylmethanolato)]titanium
精确分子量/精确质量:
822.19000
极性分子表面积/PSA:
63.51000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。

物化性质展开↓

存储条件/存储方法:

 

 密封于阴凉干燥环境中

稳定性相关:

 

遵照规定使用和储存则不会分解。

其它信息:

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

安全信息展开↓

危险类别码:
20/21/22-36/37/38
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。
:

毒理性展开↓

生态数据:

 

该物质对环境可能有危害,对水体应给予特别注意。

MSDS 展开↓


Section 1: Product Identification
   (4R,5R)-(-)-2,2-Dimethyl-alpha,alpha,alpha',alpha'-tetra(1-naphthyl)-1,3-dioxolane-4,5-dimethanolatotitanium
   Chemical Name:
   (IV) dichloride acetonitrile adduct
   CAS Registry Number:       197389-47-2    
   Formula:       C47H36Cl2O4Ti    
   EINECS Number:       none    
   Chemical Family:       organometallic complex    
   Synonym:       Titanium naphthylTADDOL    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title compound       197389-47-2       100%       no data       no data    

Section 3: Hazards Identification
   Emergency Overview:       Irritating to skin, eyes and respiratory tract. With moisture, may liberate 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 of dust or fumes causes irritation to the nose, mucous membranes and respiratory tract.    
   Ingestion:       No information is available on the physiological effects of ingestion.    
   Irritation to skin, eyes, mucous membranes and respiratory tract. Exposure to moisture slowly produces
   Acute Health Affects:
   hydrochloric acid.
   Chronic Health Affects:       No information available 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:       none    
   Autoignition Temperature:       none    
   Explosion Limits:       none    
   Extinguishing Medium:       carbon dioxide, dry powder or foam    
   If involved in a fire, fire fighters should be equipped with a 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 fumes.    
   Decomposion Products:
   Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

SECTION 6: Accidental Release Measures
   Spill and Leak Procedures:       Small spills can be mixed with vermiculite or sodium carbonate and swept up.    

SECTION 7: Handling and Storage
   Store material in a tightly sealed bottle, preferably under an inert atmosphere. If possible, handle material in an
   Handling and Storage:
   efficient fume hood. Prolonged exposure to the atmosphere will lead to degradation of the product.

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:       If possible, handle the material in an efficient fume hood.    
   No respirator is required when handling this material unless large volumes are handled in a poorly ventilated
   Respirator:
   area.
   Ventilation:       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 powder    
   Molecular Weight:       783.58(824.63)    
   Melting Point:       no data    
   Boiling Point:       decomposes    
   Vapor Pressure:       no data    
   Specific Gravity:       no data    
   Odor:       may have an acidic odor.    
   Solubility in Water:       reacts with water    

SECTION 10: Stability and Reactivity
   Stability:       Moisture-sensitive solid    
   Hazardous Polymerization:       none    
   Conditions to Avoid:       material may absorb water from the atmosphere on prolonged exposure.    
   Incompatibility:       water, alcohols, reactive metals    
   Decomposition Products:       Carbon dioxide, carbon monoxide, hydrogen chloride, titanium oxide, and organic vapors.    

SECTION 11: Toxicological Information
   RTECS Data:       No specific information available from the RTECS files.    
   Carcinogenic Effects:       No data available    
   Mutagenic Effects:       No data available    
   Tetratogenic Effects:       No data available    

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):       not reportable under SARA Title 13    
   Second Ingredient:       none    


SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

分子结构数据


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

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