meso-四(4-磺苯基)卟吩四钠十二水

meso-四(4-磺苯基)卟吩四钠十二水 基本信息
CAS号 39050-26-5 分子式 C44H30N4NaO12S4+
分子量 957.97800 精确质量  957.06400
PSA  307.30000 LogP  8.17620

等价的CAS号:

39050-26-5,79663-32-4,99435-34-4

基本信息 展开↓

CAS号:
39050-26-5
3D弹球模型:
立即前往扯扯看
分子式:
C44H30N4NaO12S4+
分子量:
957.97800
中文名称:
meso-四(4-磺苯基)卟吩四钠十二水
英文名称:
meso-Tetrakis(p-sulfophenyl)porphine tetrasodium salt
中文别名:
meso-四(4-磺苯基)卟吩四钠十二水;
四(4-磺酸基苯基)卟啉四钠盐;
MESO-四(4-磺基苯基)卟啉四钠盐十二水合物;
21H,23H-卟啉-5,10,15,20-四对苯磺酸钠
英文别名:
meso-Tetrakis(p-sulfophenyl)porphine tetrasodium salt;
tetrasodium-meso-tetra(4-sulfonatophenyl)porphinedodecahydrate,min.;
Na4[H2tpps];
5,10,15,20-Tetrakis[4-(sodiooxysulfonyl)phenyl]-21H,23H-porphyrin;
TETRASODIUM-MESO-TETRA(4-SULFONATOPHENYL)PORPHINE DODECAHYDRATE;
5,10,15,20-Tetrakis[4-(sodiosulfo)phenyl]-21H,23H-porphyrin;
5,10,15,20-Tetraphenyl-21H,23H-porphine-p,p',p'',p'''-tetrasulfonic acid tetrasodium salt;
TETRASODIUM-MESO-TETRA(4-SULFONATOPHENYL)PORPHINE;
5,10,15,20-Tetrakis(sodium 4-sulfonatophenyl)-21H,23H-porphyrin;
meso-Tetrakis-(4-sulfophenyl)-porphine tetrasod;
tetrasodium meso-5,10,15,20-tetrakis(p-sulfonatophenyl)porphyrin sodium
精确分子量/精确质量:
957.06400
极性分子表面积/PSA:
307.30000
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。
EINECS:
254-262-8
InChI:
The Key: MANJPJFOBLAUCC-DAJBKUBHSA-J

物化性质展开↓

密度:
1.607g/cm3

MSDS 展开↓


Section 1: Product Identification
   Chemical Name:       Tetrasodium-meso-tetra(4-sulfonatophenyl)porphine dodecahydrate, min. 95%    
   CAS Registry Number:       39050-26-5    
   Formula:       C44H26N4Na4O12S4.12H2O    
   EINECS Number:       none    
   Chemical Family:       metal porphine (porphyrin) complex    
   Synonym:       none    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       39050-26-5       100%       no data       no data    

Section 3: Hazards Identification
   Emergency Overview:       No particular hazard associated with this material.    
   Primary Routes of Exposure:       Ingestion, inhalation    
   Eye Contact:       May cause slight to mild irritation of the eyes.    
   Skin Contact:       May cause slight to mild irritation of the skin.    
   Inhalation:       May be irritating to the nose, mucous membranes and respiratory tract.    
   Ingestion:       No specific information is available on the physiological effects of ingestion.    
   Acute Health Affects:       May be 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    
   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       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 or sodium carbonate and swept up.    

SECTION 7: Handling and Storage
   Handling and Storage:       Store in a tightly sealed container. Keep 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 clothes and gloves. Consult glove manufacturer to determine the proper type of glove.    
   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:       purple pwdr.    
   Molecular Weight:       1022.87 (1239.11)    
   Melting Point:       no data    
   Boiling Point:       no data    
   Vapor Pressure:       not applicable    
   Specific Gravity:       no data    
   Odor:       none    
   Solubility in Water:       very soluble    

SECTION 10: Stability and Reactivity
   Stability:       air and moisture stable solid    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       none    
   Incompatibility:       oxidizing agents    
   Decomposition Products:       carbon dioxide, carbon monoxide, nitrogen oxides, sulfur dioxide, organic fumes, and sodium oxide    

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:       Listed in the TSCA inventory.    
   SARA (Title 313):       Not reportable under SARA Title 313    
   Second Ingredient:       none    


SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

计算化学数据


1、   疏水参数计算参考值(XlogP):5.4

2、   氢键供体数量:6

3、   氢键受体数量:14

4、   可旋转化学键数量:8

5、   拓扑分子极性表面积(TPSA):275

6、   重原子数量:64

7、   表面电荷:0

8、   复杂度:1960

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:1

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便