E2416506Determine the necessary mass, volume, or concentration for preparing a solution.
2-Fluoro-4-(pentafluorothio)benzoic acid - ≥97% , CAS No.1240257-03-7
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=CC(=C(C=C1S(F)(F)(F)(F)F)F)C(=O)O |
|---|---|
| IUPAC Name | 2-fluoro-4-(pentafluoro-λ6-sulfanyl)benzoic acid |
| InChIKey | MGIDEXWQQLSCGW-UHFFFAOYSA-N |
| INCHI | 1S/C7H4F6O2S/c8-6-3-4(16(9,10,11,12)13)1-2-5(6)7(14)15/h1-3H,(H,14,15) |
| Isomeric SMILES | C1=CC(=C(C=C1S(F)(F)(F)(F)F)F)C(=O)O |
| PubChem CID | 66523491 |
| Molecular Weight | 266.16 |
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 | 266.160 g/mol |
|---|---|
| XLogP3 | 5.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 1 |
| Exact Mass | 265.984 Da |
| Monoisotopic Mass | 265.984 Da |
| Topological Polar Surface Area | 38.300 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 311.000 |
| 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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