间四苯基卟吩乙酸锰(III)

间四苯基卟吩乙酸锰(III) 基本信息
CAS号 58356-65-3 分子式 C46H32MnN4O2
分子量 727.71000 精确质量  727.19100
PSA  71.88000 LogP  6.52870

基本信息 展开↓

CAS号:
58356-65-3
3D弹球模型:
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分子式:
C46H32MnN4O2
分子量:
727.71000
中文名称:
间四苯基卟吩乙酸锰(III)
英文名称:
acetic acid,manganese(2+),5,10,15,20-tetraphenylporphyrin-22,24-diide
中文别名:
间四苯基卟吩乙酸锰(III);
间四苯基卟吩乙酸锰
英文别名:
acetic acid,manganese(2+),5,10,15,20-tetraphenylporphyrin-22,24-diide;
Mn(TPP)(OAc);
MANGANESE meso-TETRAPHENYLPORPHINE ACETATE;
Mn(meso-tetraphenylporphyrin)OAc;
acetato[5,10,15,20-tetra(phenyl)porphyrinato]manganese(III);
manganese(III)(meso-tetraphenylporphyrin)OAc;
2,7,12,17-tetraphenyl-21,23,24,25-tetraaza-22-manganahexacyclo[9.9.3.1^{3,6}.1^{13,16}.0^{8,23}.0^{18,21}]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaene
精确分子量/精确质量:
727.19100
极性分子表面积/PSA:
71.88000
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:
MFCD00216548
InChI:
The Key: IUNFPUADXGWKIY-YKKPBKTHSA-M

生产制备方法及用途展开↓

制备方法


化学试剂

用途简介


用途


化学试剂

物化性质展开↓

存储条件/存储方法:

在密封的贮藏器内,并放置阴凉,干燥的地方避光保存

稳定性相关:

避免接触氧化物

其它信息:

1.       性状:深绿色粉末

2.       密度(g/cm3 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 6mmHg):未确定

6.       沸点(ºC,5.2kPa):未确定

7.       折射率:未确定

8.       闪点(℉):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(25℃):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(mg/mL):水:未确定

合成路线查看所有的合成路线

  • 638-38-0

    乙酸锰

  • +

  • 917-23-7

    四苯基卟啉

  • ~98%

  • 58356-65-3

    间四苯基卟吩乙酸锰(III)

  • 917-23-7

    四苯基卟啉

  • +

  • 638-38-0

    乙酸锰

  • 58356-65-3

    间四苯基卟吩乙酸锰(III)

  • 917-23-7

    四苯基卟啉

  • +

  • 6156-78-1

    四水合乙酸锰

  • 58356-65-3

    间四苯基卟吩乙酸锰(III)

毒理性展开↓

生态数据:

对水是稍微危害的,若无政府许可,勿将材料排入周围环境。

MSDS 展开↓


Section 1: Product Identification
   Chemical Name:       Manganese (III) meso-tetraphenylporphine acetate    
   CAS Registry Number:       58356-65-3    
   Formula:       Mn(C44H28N4)OOCCH3    
   EINECS Number:       none    
   Chemical Family:       metal porphine (porphyrin) complex    
   Synonym:       Manganic (III) meso-tetraphenylporphine acetate    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title compound       58356-65-3       100%       0.2mg/m3 (as Mn)       5mg/m3 (as Mn -    

Section 3: Hazards Identification
   Emergency Overview:       May be irritating to eyes, skin and respiratory tract. May be harmful if swallowed.    
   Primary Routes of Exposure:       Inhalation, ingestion.    
   Eye Contact:       May cause slight to mild irritation of the eyes.    
   Skin Contact:       May cause slight to mild irritation of the skin.    
   Dust may be irritating to the nose, mucous membranes and respiratory tract and cause chronic health
   Inhalation:
   problems.
   Ingestion:       No information available on the physiological effects of ingestion.    
   Acute Health Affects:       May be irritating to skin, eyes and respiratory tract.    
   Prolonged exposure to manganese containing dust may produce manganese pneumonitis and manganese
   Chronic Health Affects:       poisoning. Symptoms include sleepiness, weakness and emotional disturbances. Equivocal studies have    
   shown manganese may decrease fertility in men.
   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 in
   Inhalation:
   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:       no data    
   Explosion Limits:       none    
   Extinguishing Medium:       carbon dioxide, foam or dry powder.    
   If this product is involved in a fire, firefighters should be equipped with 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 manganese oxide fumes.    
   Decomposion Products:
   Unusual Fire or Explosion Hazards: Combustible material. 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 the material in a sealed container. Keep away from heat and moisture.    

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 Respiratory
   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:       greenish black pwdr.    
   Molecular Weight:       726.71    
   Melting Point:       no data    
   Boiling Point:       no data    
   Vapor Pressure:       no data    
   Specific Gravity:       no data    
   Odor:       not determined    
   Solubility in Water:       insoluble    

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

SECTION 11: Toxicological Information
   RTECS Data:       No information available in RTECS.    
   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: See category code N450 for reporting    
   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):无

2.氢键供体数量:1

3.氢键受体数量:6

4.可旋转化学键数量:4

5.互变异构体数量:无

6.拓扑分子极性表面积64

7.重原子数量:53

8.表面电荷:0

9.复杂度:1370

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

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  • 638-38-0

    乙酸锰

  • 917-23-7

    四苯基卟啉

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    (5,10,15,20-tetraphenylporphyrinato)manganese(III) chloride

  • 6156-78-1

    四水合乙酸锰

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  • 31004-82-7

    manganese,10,12,13,23-tetraphenyl-21H-porphyrin

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