(+)-1,2-双((2S,5S)-2,5-二乙基磷)苯

(+)-1,2-双((2S,5S)-2,5-二乙基磷)苯 基本信息
CAS号 136779-28-7 分子式 C22H36P2
分子量 362.46900 精确质量  362.22900
PSA  27.18000 LogP  6.60300

基本信息 展开↓

CAS号:
136779-28-7
3D弹球模型:
立即前往扯扯看
分子式:
C22H36P2
分子量:
362.46900
中文名称:
(+)-1,2-双((2S,5S)-2,5-二乙基磷)苯
英文名称:
(2S,5S)-1-[2-[(2S,5S)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane
中文别名:
(+)-1,2-双((2S,5S)-2,5-二乙基磷)苯;
(+)-1,2-双[(2S,5S)-2,5-二乙基膦烷基]苯;
(+)-1,2-双[(2s,5s)-2,5-二乙基膦]苯
英文别名:
(2S,5S)-1-[2-[(2S,5S)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane;
UNII-FRI8026KMA
精确分子量/精确质量:
362.22900
极性分子表面积/PSA:
27.18000
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。
贝尔斯坦号/MDL:
MFCD00142321
PubChem:
24848817
BRN:
4814174
InChI:
The Key: GVVCHDNSTMEUCS-MUGJNUQGSA-N

物化性质展开↓

密度:
1.010 g/mL at 25ºC
沸点:
468.5ºC at 760 mmHg
闪点:
>230 °F
折射率:
n20/D 1.581
蒸汽压:
1.67E-08mmHg at 25°C
存储条件/存储方法:

保持贮藏器密封、储存在阴凉、干燥的地方,确保工作间有良好的通风或排气装置

稳定性相关:

如果遵照规格使用和储存则不会分解,未有已知危险反应

其它信息:

1.        性状:无色黏性液体

2.         密度(g/mL,25):1.010

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:n20/D 1.581

8.         闪点(ºC):>110

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

安全信息展开↓

危险类别码:
R36/37/38
安全说明:
S26
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。
S36:穿戴合适的防护服装。
危险标志:
Xi

合成路线查看所有的合成路线

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    136705-67-4

  • 136779-28-7

    (+)-1,2-双((2S,5S)-2,5-二乙基磷)苯

  • 129619-37-0

    (3R,6R)-3,6-辛二醇

  • 136779-28-7

    (+)-1,2-双((2S,5S)-2,5-二乙基磷)苯

MSDS 展开↓


Section 1: Product Identification
   Chemical Name:       (+)-1,2-Bis((2S,5S)-2,5-diethylphospholano)benzene, 98+% (S,S)-Et-DUPHOS    
   CAS Registry Number:       136779-28-7    
   Formula:       C22H36P2    
   EINECS Number:       none    
   Chemical Family:       organophosphine ligand    
   Synonym:       (S,S)-Ethyl DUPHOS    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       136779-28-7       100%       no data       no data    

Section 3: Hazards Identification
   Emergency Overview:       Irritating to eyes, skin and respiratory tract.    
   Primary Routes of Exposure:       Ingestion, skin    
   Eye Contact:       Causes slight to mild irritation of the eyes.    
   Skin Contact:       Causes slight to mild irritation of the skin.    
   Inhalation:       Irritating to the nose, mucous membranes and respiratory tract.    
   Ingestion:       No specific information is available on the physiological effects of ingestion.    
   Acute Health Affects:       Irritating to skin, eyes and respiratory tract.    
   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:       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 and       If 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
   Spill and Leak Procedures:       Small spills can be mixed with vermiculite, sodium carbonate or other suitable adsorbent, and swept up.    

SECTION 7: Handling and Storage
   Store in a tightly sealed container under an inert atmosphere of nitrogen or argon. Keep away from heat and
   Handling and Storage:
   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 Respirator
   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:       colorless oil    
   Molecular Weight:       362.48    
   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 liquid    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       prolonged contact with air    
   Incompatibility:       oxidizing agents, halogens    
   Decomposition Products:       carbon dioxide, carbon monoxide, phosphorus pentoxide, and organic fumes.    

SECTION 11: Toxicological Information
   RTECS Data:       No information available in 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):       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:362.229223 Da

8、标称质量:362 Da

9、平均质量:362.4688 Da

计算化学数据


1.疏水参数计算参考值(XlogP):5.9

2.氢键供体数量:0

3.氢键受体数量:0

4.可旋转化学键数量:6

5.互变异构体数量:无

6.拓扑分子极性表面积0

7.重原子数量:24

8.表面电荷:0

9.复杂度:322

10.同位素原子数量:0

11.确定原子立构中心数量:4

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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