三己基(四癸基)膦 双(三氟甲基磺酰)氨

三己基(四癸基)膦 双(三氟甲基磺酰)氨 基本信息
CAS号 460092-03-9 分子式 C34H68F6NO4PS2
分子量 764.00200 精确质量  763.42300
PSA  98.63000 LogP  15.66690

基本信息 展开↓

CAS号:
460092-03-9
3D弹球模型:
立即前往扯扯看
分子式:
C34H68F6NO4PS2
分子量:
764.00200
中文名称:
三己基(四癸基)膦 双(三氟甲基磺酰)氨
英文名称:
bis(trifluoromethylsulfonyl)azanide,trihexyl(tetradecyl)phosphanium
中文别名:
三己基(四癸基)膦 双(三氟甲基磺酰)氨;
三己基十四烷基膦双(三氟甲基磺酰基)酰胺
英文别名:
bis(trifluoromethylsulfonyl)azanide,trihexyl(tetradecyl)phosphanium;
Tetradecyltrihexylphosphonium bis(trifluoromethylsulfonyl)amide;
tetradecyltrihexylphosphonium NTf2;
[PR4][Tf2N];
Trihexyltetradecylphosphonium bis(trifluoromethylsulfonyl)amide;
[P6,6,6,14][NTf2];
[THTDP][NTf2];
[TDTHP][NTf2]
精确分子量/精确质量:
763.42300
极性分子表面积/PSA:
98.63000
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:
MFCD04117695
PubChem:
24873459
InChI:
The Key: HYNYWFRJHNNLJA-UHFFFAOYSA-N

物化性质展开↓

密度:
1.07 g/mL at 20ºC(lit.)
闪点:
52ºC
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):1.07

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):52

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

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
   Chemical Name:       Trihexyl(tetradecyl)phosphonium bis(trifluoromethanesulfonyl)amide, min. 97% CYPHOS IL 109    
   CAS Registry Number:       460092-03-9    
   Formula:       [(C6H13)3(C14H29)P]+[(CF3SO2)N]-    
   EINECS Number:       none    
   Chemical Family:       organophosphine compound    
   Synonym:       CYPHOSIL 109    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title compound       460092-03-9       100%       2.5mg(F)/m3       2.5mg(F)/m3    

Section 3: Hazards Identification
   Emergency Overview:       Irritating to skin, eyes and respiratory tract. May be harmful if swallowed.    
   Primary Routes of Exposure:       Ingestion, skin    
   Eye Contact:       Causes mild to moderate irritation to the eyes.    
   Skin Contact:       Causes mild to moderate irritation of the skin.    
   Inhalation:       As a liquid aerosol, 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.    
   Product contains fluorine which, under certain conditions of use, decomposition or metabolism, may generate
   Chronic Health Affects:       fluoride ion causing nausea, vomiting, labored breathing, hypocalcaemia, deterioration of bone and tooth    
   structure and 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
   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 and vapors of phosphorus pentoxide.    
   Decomposion Products:
   Unusual Fire or Explosion Hazards: No unusual fire or explosion hazard.

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:       Keep container tightly closed. Store in a cool, dry place.    

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:       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:       colorless liq.    
   Molecular Weight:       764    
   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 and moisture stable    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       none    
   Incompatibility:       strong oxidizing agents    
   Decomposition Products:       carbon monoxide, phosphorous pentoxide, sulfur and nitrogen oxides, hydrofluoric acid and 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):无可用

2、   氢键供体数量:0

3、   氢键受体数量:11

4、   可旋转化学键数量:30

5、   拓扑分子极性表面积(TPSA):69.3

6、   重原子数量:48

7、   表面电荷:0

8、   复杂度:693

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:0

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:2

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