None 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488194806 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488194806 |
| Canonical Smiles | CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=C(C=C(C=C3)S(=O)(=O)O)S(=O)(=O)[O-] |
| IUPAC Name | 2-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-5-sulfobenzenesulfonate |
| InChIKey | IKHKJYWPWWBSFZ-UHFFFAOYSA-N |
| INCHI | 1S/C27H32N2O6S2/c1-5-28(6-2)22-13-9-20(10-14-22)27(21-11-15-23(16-12-21)29(7-3)8-4)25-18-17-24(36(30,31)32)19-26(25)37(33,34)35/h9-19H,5-8H2,1-4H3,(H-,30,31,32,33,34,35) |
| Isomeric SMILES | CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=C(C=C(C=C3)S(=O)(=O)O)S(=O)(=O)[O-] |
| Molecular Weight | 544.68 |
| Reaxy-Rn | 3785524 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3785524&ln= |
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 | Diphenylmethanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylmethanes |
| Alternative Parents | Benzenesulfonic acids and derivatives Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Dialkylarylamines Aniline and substituted anilines Sulfonyls Secondary ketimines Organosulfonic acids Azomethines Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Diphenylmethane - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Azomethine - Secondary ketimine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Tertiary amine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. |
| 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 |
|---|---|---|---|
 I2314204 | Certificate of Analysis | Jun 15, 2026 | A302264 |
| I2314205 | Certificate of Analysis | Jun 15, 2026 | A302264 |
| I2314206 | Certificate of Analysis | Jun 15, 2026 | A302264 |
| I2314208 | Certificate of Analysis | Jun 15, 2026 | A302264 |
| I2314209 | Certificate of Analysis | Jun 15, 2026 | A302264 |
| C2624042 | Certificate of Analysis | Apr 01, 2026 | A302264 |
| F23161009 | Certificate of Analysis | Mar 18, 2026 | A302264 |
| G2415261 | Certificate of Analysis | Apr 28, 2024 | A302264 |
| H2406096 | Certificate of Analysis | Apr 27, 2024 | A302264 |
| I2314207 | Certificate of Analysis | Aug 05, 2023 | A302264 |
| I2314210 | Certificate of Analysis | Aug 05, 2023 | A302264 |
| L2410064 | Certificate of Analysis | Aug 05, 2023 | A302264 |
| C2302040 | Certificate of Analysis | Feb 21, 2023 | A302264 |
| C2302042 | Certificate of Analysis | Feb 21, 2023 | A302264 |
| Solubility | Soluble in water |
|---|---|
| Molecular Weight | 544.700 g/mol |
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 8 |
| Exact Mass | 544.17 Da |
| Monoisotopic Mass | 544.17 Da |
| Topological Polar Surface Area | 135.000 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 1050.000 |
| 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. Muhammad Usman Amin, Ruiyuan Zhang, Lingwei Li, Hongjun You, Jixiang Fang. (2021) Solution-Based SERS Detection of Weak Surficial Affinity Molecules Using Cysteamine-Modified Au Bipyramids. ANALYTICAL CHEMISTRY, [PMID:34013734] [10.1021/acs.analchem.1c00439] |
| 2. Ruixia Niu, Chao Wang, Hua Song, Lingzhi Liao, Jingling Wang, Weidong Ren. (2016) Synthesis and Characterization of Novel Aryl Alkyl Sulfonates Based on Nonylphenol. JOURNAL OF SURFACTANTS AND DETERGENTS, 19 (3): (567-572). [PMID:] [10.1007/s11743-016-1803-1] |
