5,10,15,20-Tetrakis(N-methylpyridinium-4-yl)-21H,23H-porphine Tetrakis(p-toluenesulfonate)
- 中文别名：5,10,15,20-四-(N-甲基吡啶-4-基)-21H,23H-卟啉-四-(p-甲苯磺酸)
- 中文释义：Α,Β,Γ,Δ-四(1-甲基吡啶嗡-4-基)卟吩对甲苯磺酸盐;5,10,15,20-四-(N-甲基吡啶-4-基)-21H,23H-卟啉-四-(p-甲苯磺酸);α,β,γ,δ-四(1-甲基吡啶嗡-4-基)卟吩对甲苯磺酸盐;5,10,15,20-四(1-甲基-4-吡啶基)卟啉四(对甲苯磺酸盐)
- 英文别名：meso-tetrakis(N-methyl-4-pyridyl)porphine tetrakis(p-toluenesulfonate);
5,10,15,20-Tetrakis(N-methyl-4-pyridyl)porphine tetratosylate;
tmpyp tetratosylate;
α,β,γ,δ-Tetrakis(1-methylpyridinium-4-yl)porphyrin p-Toluenesulfonate;
TMPyP4 tosylate;
TMPyP ,Mg] [Fo;
TMPYP;
4-methylbenzenesulfonate,5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin
- CAS No.：36951-72-1
- 分子式：C72H66N8O12
- 分子量：1363.61
- 精确分子量：1362.37000
- PSA：334.14000
- MDL：MFCD00013468
- InChI：InChI=1/C44H37N8.4C7H8O3S/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31;4*1-6-2-4-7(5-3-6)11(8,9)10/h5-28H,1-4H3,(H,45,46,47,4
- 分子结构式：
物化性质
- 存储条件/存储方法：
密封、在2 ºC -10 ºC下保存
- 稳定性相关：
常规情况下不会分解，没有危险反映
- 其它信息：
1. 性状： 固体
2. 密度（g/mL,20 ºC）：未确定
3. 相对蒸汽密度（g/mL,空气=1）： 未确定
4. 熔点（ºC）：129-131
5. 沸点（ºC,3mm hg）： 256-260
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
- 存储条件/存储方法：
密封、在2 ºC -10 ºC下保存
- 稳定性相关：
常规情况下不会分解，没有危险反映
- 其它信息：
1. 性状： 固体
2. 密度（g/mL,20 ºC）：未确定
3. 相对蒸汽密度（g/mL,空气=1）： 未确定
4. 熔点（ºC）：129-131
5. 沸点（ºC,3mm hg）： 256-260
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
毒理性
- 生态数据：
对水是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 I.Chemical Product and Company Identification
Chemical NameTMPyP [=Tetrakis(1-Methylpyridinium-4-yl)porphine
p-Toluenesulfonate]
[Ultra-high sensitive spectrophotometric reagent for Cu, Mg, and use for the simultaneous
determination of metals by HPLC.]
Portland OR
SynonymNot available.
C72H66N8O12S4
Chemical Formula
CAS Number36951-72-1
Section II.Composition and Information on Ingredients
Chemical NameCAS Number Percent (%)TLV/PELToxicology Data
TMPyP [=Tetrakis(1-Methylpyridinium-4-yl)porphine36951-72-1-------------- Not available.Not available.
p-Toluenesulfonate]
[Ultra-high sensitive spectrophotometric reagent for Cu, Mg, and use for the simultaneous
determination of metals by HPLC.]
Section III. Hazards Identification
Acute Health EffectsIrritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the
eye is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening,
or, occasionally, blistering. Follow safe industrial hygiene practices and always wear proper protective equipment when
handling this compound.
Chronic Health EffectsCARCINOGENIC EFFECTS : Not available.
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Not available.
There is no known effect from chronic exposure to this product. Repeated or prolonged exposure to this compound is
not known to aggravate existing medical conditions.
Section IV.First Aid Measures
Eye ContactCheck for and remove any contact lenses. DO NOT use an eye ointment. Flush eyes with running water for a minimum
of 15 minutes, occasionally lifting the upper and lower eyelids. Seek medical attention. Treat symptomatically and
supportively.
Skin ContactAfter contact with skin, wash immediately with plenty of water. Gently and thoroughly wash the contaminated skin with
running water and non-abrasive soap. Be particularly careful to clean folds, crevices, creases and groin. Cover the
irritated skin with an emollient. Seek medical attention. Treat symptomatically and supportively. Wash any contaminated
clothing before reusing.
InhalationIf the victim is not breathing, perform artificial respiration. Loosen tight clothing such as a collar, tie, belt or waistband. If
breathing is difficult, oxygen can be administered. Seek medical attention. Treat symptomatically and supportively.
IngestionINDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.
Loosen tight clothing such as a collar, tie, belt, or waistband. If the victim is not breathing, administer artificial respiration.
Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the toxic material
was ingested; the absence of such signs, however, is not conclusive. Seek immediate medical attention and, if possible,
show the chemical label. Treat symptomatically and supportively.
Section V.Fire and Explosion Data
Not available.
Combustible.Auto-Ignition
Flammability
Flammable Limits
Flash PointsNot available.
Not available.
Combustion ProductsThese products are toxic carbon oxides (CO, CO 2), nitrogen oxides (NO, NO2), sulfur oxides (SO2, SO3...).
Fire Hazards
No specific information is available regarding the flammability of this compound in the presence of various materials.
Continued on Next Page
a5oppTMPyP [=Tetrakis(1-Methylpyridinium-4-yl)porphine
p-Toluenesulfonate]
[Ultra-high sensitive spectrophotometric reagent for Cu, Mg, and use for the simultaneous determination of metals
by HPLC.]
Explosion HazardsRisks of explosion of the product in presence of mechanical impact: Not available.
Risks of explosion of the product in presence of static discharge: Not available.
No additional information is available regarding the risks of explosion.
Fire Fighting Media
SMALL FIRE: Use DRY chemicals, CO 2, water spray or foam.
and InstructionsLARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
Section VI.Accidental Release Measures
Spill CleanupIrritating material.
InstructionsIn case of a spill and/or a leak, always shut off any sources of ignition, ventilate the area, and exercise caution. Use a
shovel to put the material into a convenient waste disposal container. Finish cleaning the spill by rinsing any
contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities for assistance on
disposal.
Section VII. Handling and Storage
IRRITANT. HYGROSCOPIC. Keep away from heat and sources of ignition. Mechanical exhaust required. When not in
Handling and Storage
use, tightly seal the container and store in a dry, cool place. Avoid excessive heat and light. DO NOT ingest. DO NOT
Information
breathe dust. In case of insufficient ventilation, wear suitable respiratory equipment. If ingested, seek medical advice
immediately and show the container or the label. Treat symptomatically and supportively. Avoid contact with skin and
eyes.
Always store away from incompatible compounds such as oxidizing agents, moisture.
Section VIII. Exposure Controls/Personal Protection
Engineering ControlsUse process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below
recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to
airborne contaminants below the exposure limit.
Splash goggles. Lab coat. Dust respirator. Boots. Gloves. A MSHA/NIOSH approved respirator must be used to avoid
Personal Protection
inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling
this product.
Exposure Limits
Not available.
Section IX. Physical and Chemical Properties
Physical state @ 20°CPurple powder.Solubility
Not available.
Not available.
Specific Gravity
Molecular WeightPartition Coefficient
1363.63Not available.
Boiling PointVapor Pressure
Not available.Not available.
Melting PointNot available.Vapor DensityNot available.
Refractive IndexNot available.VolatilityNot available.
Critical TemperatureNot available.OdorNot available.
ViscosityNot available.TasteNot available.
Section X.Stability and Reactivity Data
StabilityThis material is stable if stored under proper conditions. (See Section VII for instructions)
Conditions of InstabilityHygroscopic; keep container tightly closed. Avoid excessive heat and light.
Incompatibilities
Reactive with oxidizing agents, moisture.
Section XI. Toxicological Information
RTECS NumberNot available.
Eye contact. Inhalation. Ingestion. Skin contact.
Routes of Exposure
Toxicity DataNot available.
CARCINOGENIC EFFECTS : Not available.
Chronic Toxic Effects
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Not available.
There is no known effect from chronic exposure to this product. Repeated or prolonged exposure to this compound is not
known to aggravate existing medical conditions.
Continued on Next Page
TMPyP [=Tetrakis(1-Methylpyridinium-4-yl)porphine
p-Toluenesulfonate]
[Ultra-high sensitive spectrophotometric reagent for Cu, Mg, and use for the simultaneous determination of metals
by HPLC.]
Acute Toxic EffectsIrritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the
eye is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening,
or, occasionally, blistering. Follow safe industrial hygiene practices and always wear proper protective equipment when
handling this compound.
Section XII.Ecological Information
EcotoxicityNot available.
Environmental FateNot available.
Section XIII. Disposal Considerations
Waste DisposalRecycle to process, if possible. Consult your local or regional authorities. You may be able to dissolve or mix material with
a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
federal, state, and local regulations when disposing of this substance.
Section XIV. Transport Information
DOT Classification
Not a DOT controlled material (United States).
PIN NumberNot applicable.
Proper Shipping NameNot applicable.
Packing Group (PG)Not applicable.
DOT Pictograms
Section XV. Other Regulatory Information and Pictograms
TSCA Chemical InventoryThis product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40
CFR 720.36 (C) for those products not on the inventory list:
(EPA)
(i) These products are supplied solely for use in research and development by or under the supervision of a technically
qualified inpidual as defined in 40 CFR 720.0 et sec.
(ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be
supplied on an MSDS sheet.
WHMIS Classification
WHMIS CLASS D-2A: Material causing other toxic effects (VERY TOXIC).
(Canada)
EINECS Number (EEC) Not available.
EEC Risk StatementsR36/37/38- Irritating to eyes, respiratory system and skin.
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）:无
2.氢键供体数量:2
3.氢键受体数量:14
4.可旋转化学键数量:4
5.互变异构体数量:2
6.拓扑分子极性表面积335
7.重原子数量:96
8.表面电荷:0
9.复杂度:1260
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:5
