21H,23H-Porphine-2,7,12,18-tetrapropanoicacid, 3,8,13,17-tetramethyl-

物化性质

外观与性状：

紫色晶体

密度：

1.366 g/cm3

沸点：

1258ºC at 760 mmHg

闪点：

714.6ºC

折射率：

1.638

蒸汽压：

0mmHg at 25°C

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

安全信息

外观与性状：

紫色晶体

密度：

1.366 g/cm3

沸点：

1258ºC at 760 mmHg

闪点：

714.6ºC

折射率：

1.638

蒸汽压：

0mmHg at 25°C

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

MSDS

Section 1: Product Identification
Chemical Name:Coproporphyrin III dihydrochloride
CAS Registry Number:14643-66-4
Formula:C36H38N4O8.2HCl
EINECS Number:none
Chemical Family:porphine (porphyrin) ligand
Synonym:None
Section 2: Composition and Information on Ingredients
IngredientCAS NumberPercentACGIH (TWA)OSHA (PEL)
Title Compound14643-66-4100%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:727.64
Melting Point:no data
Boiling Point:no data
Vapor Pressure:no data
Specific Gravity:no data
Odor:none
Solubility in Water: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, 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):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

分子结构数据

五、分子性质数据：

1、 摩尔折射率：172.17

2、 摩尔体积（m³/mol）：479.0

3、 等张比容（90.2K）：1379.6

4、 表面张力（dyne/cm）：68.7

5、 极化率（10^-24cm³）：68.25

计算化学数据

1、 疏水参数计算参考值（XlogP）：

2、 氢键供体数量：8

3、 氢键受体数量10

4、 可旋转化学键数量：12

5、 互变异构体数量：6

6、 拓扑分子极性表面积（TPSA）：207

7、 重原子数量：50

8、 表面电荷：0

9、 复杂度：1170

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：3