(+)-6,6'-{[(1R,3R)-1,3-二甲基-1,3-丙二基]双(氧代)}双[4,8-双(叔丁基)-2,10-二甲氧基-联苯并[d,f][1,3,2]二噁磷杂庚英]

(+)-6,6'-{[(1R,3R)-1,3-二甲基-1,3-丙二基]双(氧代)}双[4,8-双(叔丁基)-2,10-二甲氧基-联苯并[d,f][1,3,2]二噁磷杂庚英] 基本信息
CAS号 149646-83-3 分子式 C49H66O10P2
分子量 876.99000 精确质量  876.41300
PSA  107.94000 LogP  14.84230

基本信息 展开↓

CAS号:
149646-83-3
3D弹球模型:
立即前往扯扯看
分子式:
C49H66O10P2
分子量:
876.99000
中文名称:
(+)-6,6'-{[(1R,3R)-1,3-二甲基-1,3-丙二基]双(氧代)}双[4,8-双(叔丁基)-2,10-二甲氧基-联苯并[d,f][1,3,2]二噁磷杂庚英]
英文名称:
6,6'-[[(1R,3R)-1,3-DIMETHYL-1,3-PROPANEDIYL]BIS(OXY)]BIS[4,8-BIS(T-BUTYL)-2,10-DIMETHOXY-BIBENZO[D,F][1,3,2]DIOXAPHOSPHEPIN
中文别名:
(+)-6,6'-{[(1R,3R)-1,3-二甲基-1,3-丙二基]双(氧代)}双[4,8-双(叔丁基)-2,10-二甲氧基-联苯并[d,f][1,3,2]二噁磷杂庚英];
6,6'-[[(1R,3R)-1,3-DIMETHYL-1,3-PROPANEDIYL]BIS(OXY)]BIS[4,8-BIS(T-BUTYL)-2,10-DIMETHOXY-BIBENZO[D,F][1,3,2]DIOXAPHOSPHEPIN
英文别名:
6,6'-[[(1R,3R)-1,3-DIMETHYL-1,3-PROPANEDIYL]BIS(OXY)]BIS[4,8-BIS(T-BUTYL)-2,10-DIMETHOXY-BIBENZO[D,F][1,3,2]DIOXAPHOSPHEPIN;
(2R,4R)-Chiraphite;
(2R,4R)-di[2,2'-(3,3'-di-tert-butyl-5,5'-dimethoxy-1,1-biphenyl)]-2,4-pentyldiphosphite;
(R,R)-CHIRAPHITE;
(2R,4R)-chirapite
精确分子量/精确质量:
876.41300
极性分子表面积/PSA:
107.94000
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。
InChI:
The Key: XMUZNZWRMNWOHX-FQLXRVMXSA-N

物化性质展开↓

存储条件/存储方法:

 

 密闭于阴凉干燥环境中

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:
R36/37/38
安全说明:
S26

合成路线查看所有的合成路线

  • 42075-32-1

    (2R,2R)-(-)-2,4-戊二醇

  • +

  • 240134-26-3

    6-chloro-4,8-bis(1,1-dimethylethyl)-2,10-dimethoxy-dibenzo[d,f][1,3,2]dioxaphosphepine

  • ~42%

  • 149646-83-3

    (+)-6,6'-{[(1R,3R)-1,3-二甲基-1,3-丙二基]双(氧代)}双[4,8-双(叔丁基)-2,10-二甲氧基-联苯并[d,f][1,3,2]二噁磷杂庚英]

  • 14078-41-2

    2,2'-二羟基-3,3'-二-叔-丁基-5,5'-二甲氧基二苯基

  • 149646-83-3

    (+)-6,6'-{[(1R,3R)-1,3-二甲基-1,3-丙二基]双(氧代)}双[4,8-双(叔丁基)-2,10-二甲氧基-联苯并[d,f][1,3,2]二噁磷杂庚英]

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
   (+)-6,6'-{[(1R,3R)-1,3-Dimethyl-1,3-propanediyl]bis(oxy)}bis[4,8-bis(t-butyl)-2,10-dimethoxy-bibenzo[d,f][1,3,2]d
   Chemical Name:
   ioxaphosphepin], min. 95% (R,R)-Chiraphite
   CAS Registry Number:       149646-83-3    
   Formula:       C49H66O10P2    
   EINECS Number:       none    
   Chemical Family:       organophosphine ligand    
   Synonym:       (R,R)-Chiraphite    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title compound       149646-83-3       100%       no data       no data    

Section 3: Hazards Identification
   Emergency Overview:       Irritating to the respiratory tract, skin and eyes. May be harmful if swallowed.    
   Primary Routes of Exposure:       Inhalation, skin, eyes    
   Eye Contact:       Causes slight to mild irritation of the eyes.    
   Skin Contact:       Causes slight to mild irritation of the skin.    
   Inhalation:       Dust is irritating 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:       Irritating to skin, eyes and respiratory tract. May be harmful if swallowed.    
   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 soap and water. Remove contaminated clothes if necessary. Seek medical
   Skin Exposure:
   assistance if 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:       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 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 organic fumes, carbon monoxide and carbon dioxide.    
   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
   The material will degrade on prolonged exposure to air and moisture. Store and handle under an inert
   Handling and Storage:
   atmosphere of nitrogen or argon. Keep bottle tightly sealed and away from heat and direct sunlight.

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:       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:       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:       off-white powder    
   Molecular Weight:       876.99    
   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:       contact with air. This material may degrade on prolonged exposure to air.    
   Incompatibility:       strong oxidizing agents, air, moisture and halogens    
   Decomposition Products:       carbon monoxide, carbon dioxide, phosphorous pentoxide, organic fumes    

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

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

计算化学数据


1.疏水参数计算参考值(XlogP):1.1

2.氢键供体数量:1

3.氢键受体数量:4

4.可旋转化学键数量:5

5.互变异构体数量:无

6.拓扑分子极性表面积55.8

7.重原子数量:14

8.表面电荷:0

9.复杂度:209

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

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