Benzenesulfonic acid,4-methyl-, iron(3+) salt (3:1)

The Iron(III) p-toluenesulfonate, with the CAS registry number 77214-82-5, is also known as Tris(toluenesulfonate)iron(III). It belongs to the product category of Thiophen. Its EINECS registry number is 420-960-8. This chemical's molecular formula is C₂₁H₂₁FeO₉S₃ and molecular weight is 569.426. What's more, its IUPAC name is Iron(3+); 4-methylbenzenesulfonate.

Physical properties about Iron(III) p-toluenesulfonate are: (1)ACD/LogP: 0.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.57; (4)ACD/LogD (pH 7.4): -2.57; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 62.75 Å².

When you are dealing with this chemical, you should be very careful. This chemical can risk of serious damage to eyes. Therefore, you should wear eye/face protection and avoid contacting with skin. And if in case of contacting with eyes, you should rise immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: [Fe+3].O=S([O-])(=O)c1ccc(cc1)C.[O-]S(=O)(=O)c1ccc(cc1)C.[O-]S(=O)(=O)c1ccc(cc1)C
(2) InChI: InChI=1/3C7H8O3S.Fe/c3*1-6-2-4-7(5-3-6)11(8,9)10;/h3*2-5H,1H3,(H,8,9,10);/q;;;+3/p-3
(3) InChIKey: FYMCOOOLDFPFPN-DFZHHIFOAN

The toxicity data is as follows: