Determine the necessary mass, volume, or concentration for preparing a solution.
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50mg/ml in H2O for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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 9 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | C1=CC(=CC=C1CCN)S(=O)(=O)F.Cl |
|---|---|
| IUPAC Name | 4-(2-aminoethyl)benzenesulfonyl fluoride;hydrochloride |
| InChIKey | WRDABNWSWOHGMS-UHFFFAOYSA-N |
| INCHI | 1S/C8H10FNO2S.ClH/c9-13(11,12)8-3-1-7(2-4-8)5-6-10;/h1-4H,5-6,10H2;1H |
| Isómeros SMILES | C1=CC(=CC=C1CCN)S(=O)(=O)F.Cl |
| WGK Alemania | 3 |
| PubChem CID | 186136 |
| Número ONU | 3261 |
| Peso molecular | 239.69 |
| Beilstein | 7604627 |
| Reaxy-Rn | 7604627 |
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 |
| Clase | Benzene and substituted derivatives |
| Subclass | Phenethylamines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenethylamines |
| Alternative Parents | Benzenesulfonyl compounds 2-arylethylamines Aralkylamines Sulfonyls Sulfonyl fluorides Organosulfonic acids and derivatives Organopnictogen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenethylamine - Benzenesulfonyl group - 2-arylethylamine - Aralkylamine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl fluoride - Sulfonyl halide - Sulfonyl - Organic nitrogen compound - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Primary amine - Amine - Organosulfur compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine. |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | May 12, 2023 | A301905 |
| Solubilidad | Soluble in water 50 mg/mL or 100% ethanol. |
|---|---|
| Sensibilidad | Moisture Sensitive |
| Punto de fusión (°C) | 181-185°C |
| Peso molecular | 239.700 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 239.018 Da |
| Monoisotopic Mass | 239.018 Da |
| Topological Polar Surface Area | 68.500 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 239.000 |
| 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 | 2 |
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| 6. Hui Zhou, Jinbao Tang, Jie Zhang, Bochao Chen, Jianfei Kan, Weifen Zhang, Jin Zhou, Huimin Ma. (2019) A red lysosome-targeted fluorescent probe for carboxylesterase detection and bioimaging. Journal of Materials Chemistry B, 7 (18): (2989-2996). [PMID:] [10.1039/C9TB00310J] |
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