21H,23H-Porphine-2,18-dipropanoicacid,7,12-diethyl-3,8,13,17-tetramethyl-,2,18-dimethyl ester
- 中文别名：中卟啉(Ⅸ)二甲酯
- 中文释义：间卟啉二甲酯;中卟啉(Ⅸ)二甲酯
- 英文别名：Mesoporphyrin IX dimethyl ester,Dimethyl 8,13-bis(ethyl)-3,7,12,17-tetramethyl-21H,23H-porphine-2,18-dipropionate;
DIMETHYL 7,12-DIETHYL-3,8,13,17-TETRAMETHYL-21 H,23 H-PORPHINE-2,18-DIPROPIONATE;
2,18-Porphinedipropionic acid,7,12-diethyl-3,8,13,17-tetramethyl-,dimethyl ester;
MESOPORPHYRIN IX DIMETHYL ESTER,SYNTHET IC;
DIMETHYL 8,13-BIS(ETHYL)-3,7,12,17-TETRAMETHYL-21H,23H-PORPHINE-2,18-DIPROPIONATE;
Dimethyl 8,13-diethyl-3,7,12,17-tetramethyl-21H,23H-porphine-2,18-dipropionate;
Mesoporphyrin dimethyl ester;
mesoporphyrin-(IX)-dimethylester;
23h-porphine-2,18-dipropanoicacid,7,12-diethyl-3,8,13,17-tetramethyl-21di
- CAS No.：1263-63-4
- 分子式：
C36H42N4O4
- 分子量：594.74
- 精确分子量：594.32100
- PSA：108.90000
- MDL：MFCD00010036
- InChI：The Key: LUUYUVIPWOKSNM-MFBGAUBSSA-N
- 分子结构式：
物化性质
- 密度：
- 1.171g/cm3
- 熔点：
- 215ºC
- 沸点：
- 1009.8ºC at 760mmHg
- 闪点：
- 564.5ºC
- 折射率：
- 1.582
- 蒸汽压：
- 0mmHg at 25°C
- 存储条件/存储方法：
保持贮藏器密封、储存在阴凉、干燥的地方，确保工作间有良好的通风或排气装置
- 稳定性相关：
如果遵照规格使用和储存则不会分解，未有已知危险反应，避免氧化物
- 其它信息：
1. 性状：未确定
2. 密度（g/cm3,20℃）：未确定
3. 相对蒸汽密度（g/mL,空气=1）：未确定
4. 熔点（ºC）：215
5. 沸点（ºC,常压）：未确定
6. 沸点（ºC,1mmHg）：未确定
7. 折射率（n20/D）：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（mmHg,20ºC）：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
- 密度：
- 1.171g/cm3
- 熔点：
- 215ºC
- 沸点：
- 1009.8ºC at 760mmHg
- 闪点：
- 564.5ºC
- 折射率：
- 1.582
- 蒸汽压：
- 0mmHg at 25°C
- 存储条件/存储方法：
保持贮藏器密封、储存在阴凉、干燥的地方，确保工作间有良好的通风或排气装置
- 稳定性相关：
如果遵照规格使用和储存则不会分解，未有已知危险反应，避免氧化物
- 其它信息：
1. 性状：未确定
2. 密度（g/cm3,20℃）：未确定
3. 相对蒸汽密度（g/mL,空气=1）：未确定
4. 熔点（ºC）：215
5. 沸点（ºC,常压）：未确定
6. 沸点（ºC,1mmHg）：未确定
7. 折射率（n20/D）：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（mmHg,20ºC）：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
毒理性
- 生态数据：
对是水稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统，若无政府许可，勿将材料排入周围环境
MSDS
Section 1: Product Identification
Chemical Name:Mesoporphyrin IX, dimethyl ester, 97%
CAS Registry Number:1263-63-4
Formula:C36H42N4O4
EINECS Number:215-030-1
Chemical Family:porphine (porphyrin) ligand
Synonym:Dimethyl 7,12-diethyl-3,8,13,17-tetramethyl-21H,23H-porphine- 2,18-dipropionate
Section 2: Composition and Information on Ingredients
IngredientCAS NumberPercentACGIH (TWA)OSHA (PEL)
Title Compound1263-63-4100%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:594.76
Melting Point:215°
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 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
分子结构数据
1、 摩尔折射率：169.46
2、 摩尔体积（m3/mol）：507.5
3、 等张比容（90.2K）：134.1
4、 表面张力（dyne/cm）: 48.8
5、 介电常数：无可用
6、 偶极距（10-24cm3）：无可用
7、 极化率：67.18
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:6
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:980
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
