YD2
Catalog Number
ACM1201915914-1
CAS
1201915-91-4
IUPAC Name
zinc;4-[2-[10,20-bis(3,5-ditert-butylphenyl)-15-(4-hexyl-N-(4-hexylphenyl)anilino)porphyrin-22,24-diid-5-yl]ethynyl]benzoic acid
Synonyms
[5-[Bis(4-hexylphenyl)amino]-15-[2-(4-carboxyphenyl)ethynyl]-10,20-bis(3,5-di-tert-butylphenyl)porphyrinato]zinc(II)
Application
The porphyrin metal complexes are important in-vivo, because they are included in chlorophyll functioning photo absorption and photo electron transfer for photosynthesis, and also included in heme transporting oxygen in blood. In addition, porphyrinato metal complexes are useful for photoelectron functional materials, metal complex catalysts and molecular electrical conductors.
Molecular Weight
1230.02
Molecular Formula
C81H89N5O2Zn
Product Information
Description
Alfa Chemistry offers YD2 products for various research purposes. Please contact us by email if you do not find the specification you are looking for on this page.
Canonical SMILES
CCCCCCC1=CC=C(C=C1)N(C2=CC=C(C=C2)CCCCCC)C3=C4C=CC(=N4)C(=C5C=CC(=C(C6=NC(=C(C7=CC=C3[N-]7)C8=CC(=CC(=C8)C(C)(C)C)C(C)(C)C)C=C6)C#CC9=CC=C(C=C9)C(=O)O)[N-]5)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C.[Zn+2]
InChI
InChI=1S/C81H90N5O2.Zn/c1-15-17-19-21-23-53-27-34-63(35-28-53)86(64-36-29-54(30-37-64)24-22-20-18-16-2)76-72-45-43-70(84-72)74(57-47-59(78(3,4)5)51-60(48-57)79(6,7)8)68-41-39-66(82-68)65(38-31-55-25-32-56(33-26-55)77(87)88)67-40-42-69(83-67)75(71-44-46-73(76)85-71)58-49-61(80(9,10)11)52-62(50-58)81(12,13)14;/h25-30,32-37,39-52H,15-24H2,1-14H3,(H2-,82,83,84,85,87,88);/q-1;/p-1
InChI Key
NDQDJMZPYLQJOV-UHFFFAOYSA-M
Melting Point
260 °C
Purity
>97.0%(T)(HPLC)
Appearance
Green to Dark green powder to crystal
Storage
Store under inert gas
Complexity
2040
Exact Mass
1227.630769g/mol
Hazard Statements
H317 : May cause an allergic skin reaction.H334 : May cause allergy or asthma symptoms or breathing difficulties if inhaled.
Heavy Atom Count
89
MDL Number
MFCD11042475
Monoisotopic Mass
1227.630769g/mol
Precautionary Statements
P501 : Dispose of contents/ container to an approved waste disposal plant.P261 : Avoid breathing dust/ fume/ gas/ mist/ vapors/ spray.P285 : In case of inadequate ventilation wear respiratory protection.P280 : Wear protective gloves.P272 : Contaminated work clothing must not be allowed out of the workplace.P342 + P311 : If experiencing respiratory symptoms: Call a POISON CENTER/doctor.P304 + P341 : IF INHALED: If breathing is difficult, remove person to fresh air and keep comfortable for breathing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P333 + P313 : If skin irritation or rash occurs: Get medical advice/ attention.P363 : Wash contaminated clothing before reuse.
Reaxys Registry Number
20446267
Rotatable Bond Count
22
Signal Word
Danger
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