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1-(5-Bromo-1H-indol-3-yl)-2,2,2-trichloroethanone - ≥98% , CAS No.1336879-56-1
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Storage
Room temperature
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Why this grade
≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Specifications & Purity
≥98%
Storage
Room temperature
Purity
≥98%
Names and Identifiers
| Canonical Smiles | C1=CC2=C(C=C1Br)C(=CN2)C(=O)C(Cl)(Cl)Cl |
|---|---|
| IUPAC Name | 1-(5-bromo-1H-indol-3-yl)-2,2,2-trichloroethanone |
| InChIKey | ZYGJNIUTYDBJIA-UHFFFAOYSA-N |
| INCHI | 1S/C10H5BrCl3NO/c11-5-1-2-8-6(3-5)7(4-15-8)9(16)10(12,13)14/h1-4,15H |
| Isomeric SMILES | C1=CC2=C(C=C1Br)C(=CN2)C(=O)C(Cl)(Cl)Cl |
| PubChem CID | 75486199 |
| Molecular Weight | 341.416 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
3D Structure
Interactive Chemical Structure Model
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 341.400 g/mol |
|---|---|
| XLogP3 | 4.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 338.862 Da |
| Monoisotopic Mass | 338.862 Da |
| Topological Polar Surface Area | 32.900 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 294.000 |
| 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 |
Solution Calculators
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