| CAS Number | 312619-41-3 |
| Catalog Number | AG007I26(AGN-PC-09TD9C) |
| Chemical Name | Iron(III) 4-methylbenzenesulfonate hexahydrate |
| IUPAC Name | iron(3+);4-methylbenzenesulfonate;hexahydrate |
| InChI | InChI=1S/3C7H8O3S.Fe.6H2O/c3*1-6-2-4-7(5-3-6)11(8,9)10;;;;;;;/h3*2-5H,1H3,(H,8,9,10);;6*1H2/q;;;+3;;;;;;/p-3 |
| InChI Key | FACZRMXNSYHQMG-UHFFFAOYSA-K |
| MDL Number | MFCD01766290 |
| Molecular Formula | C21H33FeO15S3 |
| Molecular Weight | 677.5177 |
| SMILES | O=S(C1=CC=C(C)C=C1)(O[Fe](OS(C2=CC=C(C)C=C2)(=O)=O)OS(C3=CC=C(C)C=C3)(=O)=O)=O.[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H] |
| Synonyms | Iron(III) p-toluenesulfonate hexahydrate,
312619-41-3,
CTK8E5971,
MFCD00799557,
(C7H7O3S)3.Fe.6(H2O),
AKOS025310970,
Iron(iii)p-toluenesulfonate hexahydrate,
P254,
DB-025146,
FT-0655933,
iron(3+); 4-methylbenzenesulfonate; hexahydrate,
A820776,
Iron p-toluenesulfonatehexahydrate,
Iron(III) p-toluenesulfonate hexahydrate, 98% - 25G 25g,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 10 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 677.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 40 |
| Hydrogen Bond Acceptor Count | 15 |
| Hydrogen Bond Donor Count | 6 |
| Isotope Atom Count | 0 |
| Molecular Weight | 677.505g/mol |
| Monoisotopic Mass | 677.033g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 203A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H319
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Packing Group
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Precautionary statements
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P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number