technical grade, ≥98% Technical grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 4 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].O.O.O.O.O.O.[Fe+3] |
|---|---|
| IUPAC Name | iron(3+);4-methylbenzenesulfonate;hexahydrate |
| InChIKey | FACZRMXNSYHQMG-UHFFFAOYSA-K |
| 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 |
| Isomeric SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].O.O.O.O.O.O.[Fe+3] |
| Molecular Weight | 677.52 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzenesulfonic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | p-Methylbenzenesulfonates |
| Alternative Parents | Tosyl compounds Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Sulfonyls Organosulfonic acids Organic transition metal salts Organic oxides Hydrocarbon derivatives Organic cations |
| Molecular Framework | Not available |
| Substituents | P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Toluene - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Organic transition metal salt - Organic oxide - Organosulfur compound - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organic cation - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as p-methylbenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a methyl group at the para- position. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 E2627400 | Certificate of Analysis | Mar 17, 2026 | I338757 |
| E2627401 | Certificate of Analysis | Mar 17, 2026 | I338757 |
| G2518394 | Certificate of Analysis | Feb 14, 2025 | I338757 |
| G2518442 | Certificate of Analysis | Feb 14, 2025 | I338757 |
| G2518459 | Certificate of Analysis | Feb 14, 2025 | I338757 |
| G2518460 | Certificate of Analysis | Feb 14, 2025 | I338757 |
| Melt Point(°C) | >300° C |
|---|---|
| Molecular Weight | 677.500 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 0 |
| Exact Mass | 677.033 Da |
| Monoisotopic Mass | 677.033 Da |
| Topological Polar Surface Area | 203.000 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 193.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 10 |
| 1. Xiaofei Lei, Xuan Xie, Kanjun Sun, Sitong Liu, Tianyu Hou, Hui Peng, Guofu Ma. (2023) Self-generated FeSe2 and CoSe2 nanoparticles confined in N, S-doped porous carbon as efficient and stable electrocatalyst for oxygen evolution reaction. ELECTROCHIMICA ACTA, [PMID:] [10.1016/j.electacta.2023.142049] |
| 2. Kanjun Sun, Xiaofei Lei, Xuan Xie, Wenjuan Li, Wenbo Hou, Hui Peng, Guofu Ma. (2024) Iron doping enhances ZIF-67 based hierarchical carbon bifunction catalyst for oxygen reduction and evolution reactions. Journal of Energy Storage, [PMID:] [10.1016/j.est.2024.113004] |
| 3. Shuaishuai Yang, Lijian Sun. (2024) Rational intramolecular and interface design of cellulosic paper electrode via PEDOT with AQS as dopant and electrolyte additives. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, [PMID:39173310] [10.1016/j.ijbiomac.2024.134931] |
| 4. Ren Xueyang, Bai Wen, Chen Shisheng, Yuan Yuehui, Shao Xiaodong, Zhu Xuefei, Wang Li, Jiang Qin, Hu Benhui. (2024) Uniaxial extending neural probes for bleeding-absent implantation. npj Flexible Electronics, 8 (1): (1-12). [PMID:] [10.1038/s41528-024-00323-1] |
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