CAS 1201915-91-4 YD2 - Materials / Alfa Chemistry

NAVIGATION

YD2

PRICE INQUIRY

Catalog Number

ACM1201915914-1

CAS Number

1201915-91-4

Product Name

YD2

Structure

Category

Dye-Sensitized Solar Cell (DSSC) Materials; Phthalocyanine Dyes, Porphyrin Dyes

Synonyms

[5-[Bis(4-hexylphenyl)amino]-15-[2-(4-carboxyphenyl)ethynyl]-10,20-bis(3,5-di-tert-butylphenyl)porphyrinato]zinc(II)

Description

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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

Molecular Weight

1230.02

Molecular Formula

C81H89N5O2Zn

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

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.

Storage

Store under inert gas

Complexity

2040

Covalently-Bonded Unit Count

Exact Mass

1227.630769g/mol

Features And Benefits

Chemical modifications of substituted groups, metal centers, and axial ligands on the porphyrinato metal complexes show various functionalities. Normal porphyrin complexes have sharp absorptions, around 400-500 nm, and the Q band around 500-700 nm which is a relatively weak absorption. Molar absorption coefficients of the Soret band are up to the order of 106 M/cm. The chlorophyll and porphyrinato zinc complexes hardly show energy relaxation of absorbed light, but easily show photoelectron transfer.

Formal Charge

Hazard Statements

H317 : May cause an allergic skin reaction.H334 : May cause allergy or asthma symptoms or breathing difficulties if inhaled.

Heavy Atom Count

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.

Rotatable Bond Count

Signal Word

Danger

Storage Conditions

Store at room temperature and dry

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

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