21H,23H-Porphine-2,18-dipropanoicacid, 7,12-diethenyl-3,8,13,17-tetramethyl-, 2,18-dimethyl ester

物化性质

密度：

1.196g/cm3

熔点：

225-228ºC

沸点：

1025ºC at 760mmHg

闪点：

573.7ºC

折射率：

1.63

存储条件/存储方法：

2-8℃ 避光，阴凉干燥处，密封保存

稳定性相关：

常温常压下稳定

其它信息：

1. 性状：结晶。对光和空气敏感。

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）：225-228

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：溶于氯仿，微溶于甲醇，不溶于碳酸溶液。

安全信息

密度：

1.196g/cm3

熔点：

225-228ºC

沸点：

1025ºC at 760mmHg

闪点：

573.7ºC

折射率：

1.63

存储条件/存储方法：

2-8℃ 避光，阴凉干燥处，密封保存

稳定性相关：

常温常压下稳定

其它信息：

1. 性状：结晶。对光和空气敏感。

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）：225-228

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：溶于氯仿，微溶于甲醇，不溶于碳酸溶液。

毒理性

生态数据：

通常对水是不危害的，若无政府许可，勿将材料排入周围环境

MSDS

Section 1: Product Identification
Chemical Name:Protoporphyrin IX dimethyl ester
CAS Registry Number:5522-66-7
Formula:C36H38N4O4
EINECS Number:226-870-3
Chemical Family:porphine (porphyrin) ligand
Synonym:None
Section 2: Composition and Information on Ingredients
IngredientCAS NumberPercentACGIH (TWA)OSHA (PEL)
Title Compound5522-66-7100%no datano 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 andIf 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 clothing and gloves.
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 xtl.
Molecular Weight:590.73
Melting Point:no data
Boiling Point:no data
Vapor Pressure:not applicable
Specific Gravity:no data
Odor:none
Solubility in Water:insoluble
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, 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: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

计算化学数据

1.疏水参数计算参考值（XlogP）:5.3

2.氢键供体数量:2

3.氢键受体数量:6

4.可旋转化学键数量:10

5.互变异构体数量:1001

6.拓扑分子极性表面积110

7.重原子数量:44

8.表面电荷:0

9.复杂度:1040

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:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1