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5,10,15,20-Tetrakis(pentafluorophenyl)-21H,23H-porphyrin iron(III) chloride

Catalog Number
ACM36965716
Product Name
5,10,15,20-Tetrakis(pentafluorophenyl)-21H,23H-porphyrin iron(III) chloride
Structure
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CAS
36965-71-6
  • Product Overview
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Synonyms
RARECHEM AS SA 0030;5,10,15,20-TETRAKIS(PENTAFLUOROPHENYL)PORPHYRIN IRON(III) CHLORIDE COMPLEX;5,10,15,20-TETRAKIS(PENTAFLUOROPHENYL)-21H,23H-PORPHINE IRON(III) CHLORIDE;5,10,15,20-TETRAKIS-(2,3,4,5,6-PENTAFLUOROPHENYL)-PORPHYRIN-FE(III)CHLORIDE;5,10,15,2
IUPAC Name
iron(2+);10,12,13,23-tetrakis(2,3,4,5,6-pentafluorophenyl)-21H-porphyrin;dichloride
Molecular Weight
1063.83
Molecular Formula
C₄₄H₈ClF₂₀FeN₄
Canonical SMILES
C1=CC2=CC3=NC(=C(C4=C(C(=C(N4C5=C(C(=C(C(=C5F)F)F)F)F)C=C6C=CC(=N6)C=C1N2)C7=C(C(=C(C(=C7F)F)F)F)F)C8=C(C(=C(C(=C8F)F)F)F)F)C9=C(C(=C(C(=C9F)F)F)F)F)C=C3.[Cl-].[Cl-].[Fe+2]
InChI
InChI=1S/C44H10F20N4.2ClH.Fe/c45-23-20(24(46)30(52)35(57)29(23)51)17-15-6-5-13(67-15)8-12-2-1-10(65-12)7-11-3-4-14(66-11)9-16-18(21-25(47)31(53)36(58)32(54)26(21)48)19(22-27(49)33(55)37(59)34(56)28(22)50)43(17)68(16)44-41(63)39(61)38(60)40(62)42(44)64;;;/h1-9,65H;2*1H;/q;;;+2/p-2
InChI Key
OFOJZPSXEPSRPZ-UHFFFAOYSA-L
Storage
room temperature
Complexity
1670
Covalently-Bonded Unit Count
4
Exact Mass
1099.931251g/mol
Formal Charge
0
H-Bond Acceptor
24
H-Bond Donor
1
Heavy Atom Count
71
Monoisotopic Mass
1099.931251g/mol
Rotatable Bond Count
4
Application
The purpose of 5,10,15,20-Tetrakis(pentafluorophenyl)-21H,23H-porphyrin iron(III) chloride is to serve as an effective catalyst in various chemical reactions, notably in the epoxidation of alkenes when used with peroxides. Additionally, it facilitates oxidative decarbonylation processes and enhances aliphatic hydroxylation reactions, highlighting its versatility and utility in synthetic chemistry.
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