Determine the necessary mass, volume, or concentration for preparing a solution.
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≥98% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504773259 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504773259 |
| Sorrisi canonici | COC1=C(C=C(C(=C1)C=NN2C(=NN=C2SC)C3=CC=CC=C3)Br)O |
| IUPAC Name | 5-bromo-2-methoxy-4-[(E)-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol |
| InChIKey | DARDDBZKGVEVKB-VXLYETTFSA-N |
| INCHI | 1S/C17H15BrN4O2S/c1-24-15-8-12(13(18)9-14(15)23)10-19-22-16(20-21-17(22)25-2)11-6-4-3-5-7-11/h3-10,23H,1-2H3/b19-10+ |
| Isomeri SMILES | COC1=C(C=C(C(=C1)/C=N/N2C(=NN=C2SC)C3=CC=CC=C3)Br)O |
| PubChem CID | 135401714 |
| Peso molecolare | 419.3 |
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 | Organoheterocyclic compounds |
| Classe | Azoles |
| Subclass | Triazoles |
| Intermediate Tree Nodes | Phenyltriazoles |
| Direct Parent | Phenyl-1,2,4-triazoles |
| Alternative Parents | Methoxyphenols Phenoxy compounds Methoxybenzenes M-bromophenols Anisoles Bromobenzenes Alkylarylthioethers Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenyl-1,2,4-triazole - Methoxyphenol - Phenoxy compound - Aryl thioether - Methoxybenzene - Phenol ether - 3-bromophenol - 3-halophenol - Anisole - 1-hydroxy-2-unsubstituted benzenoid - Alkylarylthioether - Phenol - Halobenzene - Bromobenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Sulfenyl compound - Thioether - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound |
| Descrizione | This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group. |
| 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 | Data | Oggetto |
|---|---|---|---|
| Certificate of Analysis | Oct 17, 2022 | E420051 | |
| Certificate of Analysis | Oct 17, 2022 | E420051 | |
| Certificate of Analysis | Oct 17, 2022 | E420051 | |
| Certificate of Analysis | Oct 17, 2022 | E420051 | |
| Certificate of Analysis | Oct 17, 2022 | E420051 | |
| Certificate of Analysis | Oct 17, 2022 | E420051 | |
| Certificate of Analysis | Oct 17, 2022 | E420051 | |
| Certificate of Analysis | Oct 17, 2022 | E420051 |
| Peso molecolare | 419.300 g/mol |
|---|---|
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 418.01 Da |
| Monoisotopic Mass | 418.01 Da |
| Topological Polar Surface Area | 97.800 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 452.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |