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16456-81-8

Basic Information
CAS No.: 16456-81-8
Name: 5,10,15,20-TETRAPHENYL-21H,23H-PORPHINE IRON(III) CHLORIDE
Article Data: 30
Molecular Structure:
Molecular Structure of 16456-81-8 (5,10,15,20-TETRAPHENYL-21H,23H-PORPHINE IRON(III) CHLORIDE)
Formula: C44H28ClFeN4
Molecular Weight: 704.033
Synonyms: Chloro(tetraphenylporphyrinato)iron(III);Cl(meso-Tetraph-P)iron;Fe(III)Tppcl;Tetraphenylporphyrinatoiron(III) chloride;Iron, chloro(5,10,15,20-tetraphenyl-21H,23H-porphinato(2-)-N21,N22,N23,N24)-, (SP-5-12)-;
Melting Point: 300 °C
Solubility: Insoluble in water.
Safety: 22-24/25
PSA: 34.58000
LogP: 7.12480
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Specification

This chemical is called Chloro(5,10,15,20-tetraphenyl)porphyrinatoiron(III), and its CAS registry number is 16456-81-8. With the molecular formula of C44H28ClFeN4, its appearance is dark red or purple powder. It's stable and incompatible with strong oxidizing agents, strong acids. Additionally, the Chloro(5,10,15,20-tetraphenyl)porphyrinatoiron(III) should be sealed in the dry place, away from the oxides.

You can still convert the following datas into molecular structure:
1.InChI: InChI=1/C44H28N4.ClH.Fe/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;;/h1-28H;1H;/q-2;;+3/p-1/b41-33-,42-35-,43-38-,44-40-;;/rC44H28ClFeN4/c45-46-47-33-21-23-35(47)42(30-15-7-2-8-16-30)37-25-27-39(49(37)46)44(32-19-11-4-12-20-32)40-28-26-38(50(40)46)43(31-17-9-3-10-18-31)36-24-22-34(48(36)46)41(33)29-13-5-1-6-14-29/h1-28H
2.Smiles: [Fe]123([n]4c=5ccc4C(=c4n2c(=C(c2ccccc2)c2[n]1c(cc2)=C(c1n3c(C5c2ccccc2)cc1)c1ccccc1)cc4)c1ccccc1)Cl