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6-Bromo-5,7-difluoroindoline-2,3-dione - ≥97% , CAS No.1698027-85-8
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Storage
Room temperature
Shipped In
Normal
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Why this grade
≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Normal 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
≥97%
Storage
Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
| Canonical Smiles | C1=C2C(=C(C(=C1F)Br)F)NC(=O)C2=O |
|---|---|
| IUPAC Name | 6-bromo-5,7-difluoro-1H-indole-2,3-dione |
| InChIKey | FGEFXZZQCPDFRF-UHFFFAOYSA-N |
| INCHI | 1S/C8H2BrF2NO2/c9-4-3(10)1-2-6(5(4)11)12-8(14)7(2)13/h1H,(H,12,13,14) |
| Isomeric SMILES | C1=C2C(=C(C(=C1F)Br)F)NC(=O)C2=O |
| PubChem CID | 118019113 |
| Molecular Weight | 262.01 |
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 | 262.010 g/mol |
|---|---|
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 260.924 Da |
| Monoisotopic Mass | 260.924 Da |
| Topological Polar Surface Area | 46.200 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 299.000 |
| 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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