间四苯基卟吩镁单水合物

间四苯基卟吩镁单水合物 基本信息
CAS号 14640-21-2 分子式 C44H28MgN4
分子量 637.02500 精确质量  636.21600
PSA  34.58000 LogP  7.15260

基本信息 展开↓

CAS号:
14640-21-2
3D弹球模型:
立即前往扯扯看
分子式:
C44H28MgN4
分子量:
637.02500
中文名称:
间四苯基卟吩镁单水合物
英文名称:
magnesium tetraphenylporphyrin
中文别名:
间四苯基卟吩镁单水合物;
5,10,15,20-四苯基卟吩镁;
N水四苯基啡洛林镁;
四苯基卟啉镁
英文别名:
magnesium tetraphenylporphyrin;
Magnesium meso-Tetraphenylporphine n-hydrate;
(5,10,15,20-tetraphenyl-porphinato(2-)-N21,N22,N23,N24)-magnesium;
MAGNESIUM MESO-TETRAPHENYLPORPHINE;
Magnesium meso-te;
Magnesium,[5,10,15,20-tetraphenyl-21H,23H-porphinato(2-)-N21,N22,N23,N24]-(SP-4-1);
magnesium tetraphenylporphine;
5,10,15,20-tetraphenyl-21H,23H-porphine,magnesium complex (1:1);
Magnesium(II) meso-Tetraphenylporphine;
5,10,15,20-Tetraphenyl-21H,23H-porphine Magnesium(II);
MAGNESIUM MESO-TETRAPHENYLPORPHYRIN;
5,10,15,20-Tetraphenyl-21H,23H-porphine magnesium(II);
(meso-tetraphenylporphyrinato)magnesium(II);
Magnesium TPP
精确分子量/精确质量:
636.21600
极性分子表面积/PSA:
34.58000
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:
MFCD00049815
InChI:
The Key: XEHJAWQTIIXDON-DAJBKUBHSA-N

物化性质展开↓

存储条件/存储方法:

常温密闭避光,通风干燥

稳定性相关:

常温常压下稳定

避免的物料:氧化物

其它信息:

1. 性状:未确定

2. 密度(g/mL,25/4):未确定

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,5.2kPa): 未确定

7. 折射率: 未确定

8. 闪点(ºC): 未确定

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(kPa,25ºC): 未确定

12. 饱和蒸气压(kPa,60ºC): 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

合成路线查看所有的合成路线

  • 10002-30-9

    S-pyridin-2-yl benzenecarbothioate

  • +

  • 107798-98-1

    2-[phenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrole

  • 14640-21-2

    间四苯基卟吩镁单水合物

  • 100-52-7

    苯甲醛

  • 14640-21-2

    间四苯基卟吩镁单水合物

  • 917-23-7

    四苯基卟啉

  • 14640-21-2

    间四苯基卟吩镁单水合物

毒理性展开↓

生态数据:

通常对水体是稍微有害的,不要将未稀释或大量产品接触地下水,水道或污水系统,未经政府许可勿将材料排入周围环境。

MSDS 展开↓


Section 1: Product Identification
   Chemical Name:       Magnesium meso-tetraphenylporphine hydrate    
   CAS Registry Number:       14640-21-2    
   Formula:       (C44H28N4)Mg.XH2O    
   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       14640-21-2       100%       no data       no data    

Section 3: Hazards Identification
   Emergency Overview:       No particular hazard associated with this material.    
   Primary Routes of Exposure:       Ingestion    
   Eye Contact:       May cause slight to mild irritation of the eyes    
   Skin Contact:       May cause slight to mild irritation of the skin.    
   Inhalation:       Dust 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:       dry chemical, carbon dioxide, or foam.    
   If this product 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
   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:       Store the material in a tightly sealed container 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 appropriate chemical resistant gloves and clothing.    
   Ventilation:       Material may form a fine dust. If possible, handle the material in an efficient fume hood.    
   Respirator:       No respirator is required when handling this material.    
   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 xtl.    
   Molecular Weight:       637.04    
   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:       none    
   Decomposition Products:       carbon dioxide, carbon monoxide, magnesium oxide, nitrogen oxides, 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:636.216439 Da

8、标称质量:636 Da

9、平均质量:637.0249 Da

计算化学数据


1、   疏水参数计算参考值(XlogP):

2、   氢键供体数量:2

3、   氢键受体数量2

4、   可旋转化学键数量:4

5、   互变异构体数量:

6、   拓扑分子极性表面积(TPSA):29.9

7、   重原子数量:49

8、   表面电荷:2

9、   复杂度:1330

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:4

14、 不确定化学键立构中心数量:0

15.  共价键单元数量:2

上下游相关产品

上游产品

更多
  • 917-23-7

    四苯基卟啉

  • 100-52-7

    苯甲醛

  • 10002-30-9

    S-pyridin-2-yl benzenecarbothioate

  • 107798-98-1

    2-[phenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrole

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便