苯基三甲基碘化磷

苯基三甲基碘化磷 基本信息
CAS号 1006-01-5 分子式 C9H14IP
分子量 280.08600 精确质量  279.98800
PSA  13.59000 LogP  -0.77710

基本信息 展开↓

CAS号:
1006-01-5
分子式:
C9H14IP
分子量:
280.08600
中文名称:
苯基三甲基碘化磷
英文名称:
TRIMETHYLPHENYLPHOSPHONIUM IODIDE
中文别名:
苯基三甲基碘化磷
英文别名:
TRIMETHYLPHENYLPHOSPHONIUM IODIDE;
Trimethylphenylphosphoniumiodide,min.
精确分子量/精确质量:
279.98800
极性分子表面积/PSA:
13.59000
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:
MFCD00050202
PubChem:
24872374

物化性质展开↓

熔点:
218 °C (dec.)(lit.)
存储条件/存储方法:

保持容器密封,储存在阴凉,干燥的地方。

稳定性相关:

常温常压下稳定,避免强氧化剂、水分接触。

其它信息:

 

安全信息展开↓

危险类别码:
61-42/43
安全说明:
53-22-36/37/39-45
安全标志:
S22:不要吸入粉尘。
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
S53:避免暴露——使用前先阅读专门的说明。
:

MSDS 展开↓


Section 1: Product Identification
   Chemical Name:       Trimethylphenylphosphonium iodide, min. 97%    
   CAS Registry Number:       1006-01-5    
   Formula:       (CH3)3(C6H5)PI    
   EINECS Number:       none    
   Chemical Family:       organophosphorus compound    
   Synonym:       None    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       1006-01-5       100%       no data       no data    

Section 3: Hazards Identification
   Irritating to skin, eyes and respiratory tract. May be harmful if swallowed. Prolonged exposure to iodides may
   Emergency Overview:
   produce a mild toxic syndrome known as iodism.
   Primary Routes of Exposure:       Ingestion, inhalation, eyes, skin    
   Eye Contact:       May cause moderate irritation of the eyes    
   Causes irritation to skin. Symptoms of iodide exposure include redness, itching, and pain, pimples, boils, hives
   Skin Contact:
   and blisters.
   Inhalation:       Irritating to the nose, mucous membranes and respiratory tract.    
   Irritating to mouth throat and stomach. Soluble bromides may cause vomiting and central nervous system
   Ingestion:
   effects.
   Acute Health Affects:       Irritating to skin, eyes and respiratory tract. Iodides may produce an allergic skin reaction.    
   A mild toxic syndrome iodism may result from chronic iodide overdoses. May cause salivation, sneezing,
   Chronic Health Affects:       conjunctivitis, headache, fever, laryngitis, bronchitis, stomatitis, and parotitis (iodine mumps). Iodides may    
   cause congenital deformation of fetus
   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:       no data    
   Explosion Limits:       no data    
   Extinguishing Medium:       carbon dioxide, dry powder or foam    
   If this material is involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure
   Special Fire Fighting Procedures:
   self-contained breathing apparatus and full protective clothing.
   Hazardous Combustion and       In a fire material may emit toxic organic fumes, carbon monoxide, iodine vapor and phosphorus pentoxide.    
   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 in a tightly sealed container. Keep away from heat and direct sunlight. Material may absorb water on
   Handling and Storage:
   prolonged exposure to the atmosphere.

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 appropriate chemical resistant gloves and protective clothing.    
   Ventilation:       Material may form a fine dust. 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:       Material may form a fine dust. 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:       white xtl.    
   Molecular Weight:       280.09    
   Melting Point:       218°    
   Boiling Point:       no data    
   Vapor Pressure:       no data    
   Specific Gravity:       no data    
   Odor:       none    
   Solubility in Water:       soluble    

SECTION 10: Stability and Reactivity
   Stability:       hygroscopic solid    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       exposure to moisture    
   Incompatibility:       oxidizing agents, moisture    
   carbon dioxide, carbon monoxide, phosphorus pentoxide, hydrogen iodide, iodine, methyl iodide, and organic
   Decomposition Products:
   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:279.987771 Da

8、标称质量:280 Da

9、平均质量:280.0857 Da

计算化学数据


1、   疏水参数计算参考值(XlogP):3.3

2、   氢键供体数量:1

3、   氢键受体数量:5

4、   可旋转化学键数量:5

5、   拓扑分子极性表面积(TPSA):62.3

6、   重原子数量:23

7、   表面电荷:0

8、   复杂度:418

9、   同位素原子数量:0

10、   确定原子立构中心数量:5

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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