≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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.
5-Bromo-4-chloroindoxyl 1,3-diacetate was used as starting reagent in the synthesis of 5,5′-dibromo-4,4′-dichloroindigo
| Pubchem Sid | 488185263 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488185263 |
| Canonical Smiles | CC(=O)N1C=C(C2=C1C=CC(=C2Cl)Br)OC(=O)C |
| IUPAC Name | (1-acetyl-5-bromo-4-chloroindol-3-yl) acetate |
| InChIKey | DSHQTSIXXYZXGR-UHFFFAOYSA-N |
| INCHI | 1S/C12H9BrClNO3/c1-6(16)15-5-10(18-7(2)17)11-9(15)4-3-8(13)12(11)14/h3-5H,1-2H3 |
| Isomeric SMILES | CC(=O)N1C=C(C2=C1C=CC(=C2Cl)Br)OC(=O)C |
| WGK Germany | 3 |
| Molecular Weight | 330.57 |
| Beilstein | 270885 |
| Reaxy-Rn | 270885 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=270885&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 | Organoheterocyclic compounds |
| Class | Indoles and derivatives |
| Subclass | Indoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indoles |
| Alternative Parents | Substituted pyrroles Aryl bromides Aryl chlorides Benzenoids Acetamides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides Organochlorides Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indole - Aryl bromide - Aryl chloride - Aryl halide - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Acetamide - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organochloride - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole. |
| 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 |
|---|---|---|---|
 A1824074 | Certificate of Analysis | Aug 18, 2025 | B124821 |
| E1704030 | Certificate of Analysis | Jan 17, 2025 | B124821 |
| B2328521 | Certificate of Analysis | Mar 08, 2023 | B124821 |
| B2328524 | Certificate of Analysis | Mar 08, 2023 | B124821 |
| B2328525 | Certificate of Analysis | Mar 08, 2023 | B124821 |
| B2328529 | Certificate of Analysis | Mar 08, 2023 | B124821 |
| D1521018 | Certificate of Analysis | Jan 05, 2023 | B124821 |
| Sensitivity | Heat Sensitive |
|---|---|
| Melt Point(°C) | 165-166°C |
| Molecular Weight | 330.560 g/mol |
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 328.945 Da |
| Monoisotopic Mass | 328.945 Da |
| Topological Polar Surface Area | 48.300 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 365.000 |
| 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 |
