≥97% 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488186376 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488186376 |
| Canonical Smiles | C1=CC=C(C=C1)S(=O)(=O)C(Br)(Br)Br |
| IUPAC Name | tribromomethylsulfonylbenzene |
| InChIKey | DWWMSEANWMWMCB-UHFFFAOYSA-N |
| INCHI | 1S/C7H5Br3O2S/c8-7(9,10)13(11,12)6-4-2-1-3-5-6/h1-5H |
| Isomeric SMILES | C1=CC=C(C=C1)S(=O)(=O)C(Br)(Br)Br |
| PubChem CID | 86912 |
| Molecular Weight | 392.89 |
| Reaxy-Rn | 2265975 |
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 | Benzenesulfonyl compounds |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenesulfonyl compounds |
| Alternative Parents | Sulfones Trihalomethanes Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzenesulfonyl group - Sulfonyl - Sulfone - Trihalomethane - Organic oxygen compound - Organic oxide - Halomethane - Hydrocarbon derivative - Organosulfur compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl group. |
| 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 |
|---|---|---|---|
 I2402009 | Certificate of Analysis | Jun 09, 2026 | T121842 |
| I2402050 | Certificate of Analysis | Jun 09, 2026 | T121842 |
| H2204121 | Certificate of Analysis | Feb 04, 2026 | T121842 |
| H2204122 | Certificate of Analysis | Feb 04, 2026 | T121842 |
| H2204123 | Certificate of Analysis | Feb 04, 2026 | T121842 |
| B1413049 | Certificate of Analysis | Sep 16, 2025 | T121842 |
| Solubility | Soluble in Acetone |
|---|---|
| Melt Point(°C) | 147°C |
| Molecular Weight | 392.890 g/mol |
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 391.754 Da |
| Monoisotopic Mass | 389.756 Da |
| Topological Polar Surface Area | 42.500 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 256.000 |
| 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 | 1 |
| 1. Zhiping Che, Xiaolong Guo, Yuanhao Li, Song Zhang, Lina Zhu, Jiaxuan He, Di Sun, Yihao Guo, Yibo Liu, Ruxue Wei, Xiaobo Huang, Shengming Liu, Genqiang Chen, Yuee Tian. (2022) Synthesis of paeonol ester derivatives and their insecticidal, nematicidal, and anti-oomycete activities. PEST MANAGEMENT SCIENCE, 78 (8): (3442-3455). [PMID:35567371] [10.1002/ps.6985] |
