Manganese Tetrakis(2,6-dichlorophenyl)porphyrin Chloride - CAS 91463-17-1

Catalog:	BB063686
Product Name:	Manganese Tetrakis(2,6-dichlorophenyl)porphyrin Chloride
CAS:	91463-17-1
Synonyms:	(SP-5-12)-Chloro[5,10,15,20-tetrakis(2,6-dichlorophenyl)-21H,23H-porphinato(2-)-κN21,κN22,κN23,κN24]-manganese; 5,10,15,20-Tetrakis(2,6-dichlorophenyl)-21H,23H-porphine Manganese Complex; Chloro(tetra-2,6-dichlorophenylporphyrinato)manganese; Chloro[tetrakis(2,6-dichlorophenyl)porphyrinato]manganese; Manganese 5,10,15,20-tetrakis(2,6-dichlorophenyl)porphyrin chloride; Manganese(III) tetrakis(2,6-dichlorophenyl)porphyrin chloride; Mn(2,6-Cl2TPP)Cl

Technical Data

IUPAC Name:	manganese(3+)5,10,15,20-tetrakis(2,6-dichlorophenyl)porphyrin-22,24-diidetrichloride
Description:	Manganese Tetrakis(2,6-dichlorophenyl)porphyrin Chloride is a catalyst used for oxidation of hydrocarbons.
Molecular Weight:	978.67
Molecular Formula:	C44H20Cl9MnN4
Canonical SMILES:	C1=CC(=C(C(=C1)Cl)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=C(C=CC=C7Cl)Cl)C8=C(C=CC=C8Cl)Cl)C=C4)C9=C(C=CC=C9Cl)Cl)[N-]3)Cl.[Cl-].[Cl-].[Cl-].[Mn+3]
InChI:	InChI=1S/C44H20Cl8N4.3ClH.Mn/c45-21-5-1-6-22(46)37(21)41-29-13-15-31(53-29)42(38-23(47)7-2-8-24(38)48)33-17-19-35(55-33)44(40-27(51)11-4-12-28(40)52)36-20-18-34(56-36)43(32-16-14-30(41)54-32)39-25(49)9-3-10-26(39)50/h1-20H3*1H/q-2+3/p-3
InChI Key:	WNQYGFMXFKOTOZ-UHFFFAOYSA-K
References:	Battioni, P., et al. J. Am. Chem. Soc., 110, 8462 (1988); Cavaleiro, J., et al. Tetrahedron Lett., 37, 1893 (1996).

Complexity:	1500
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	5
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	1047.758319
Formal Charge:	-2
Heavy Atom Count:	60
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	1043.764219
Rotatable Bond Count:	4
Topological Polar Surface Area:	26.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0