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(1E)-3,4,4,4-Tetrafluoro-1-iodo-3-(trifluoromethyl)but-1-ene , CAS No.243139-61-9
AVAILABLE TO ORDER
Storage
Room temperature
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Why this grade
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
Storage
Room temperature
Names and Identifiers
| Canonical Smiles | C(=CI)C(C(F)(F)F)(C(F)(F)F)F |
|---|---|
| IUPAC Name | (E)-3,4,4,4-tetrafluoro-1-iodo-3-(trifluoromethyl)but-1-ene |
| InChIKey | YSIHFHRTEHLZRU-OWOJBTEDSA-N |
| INCHI | 1S/C5H2F7I/c6-3(1-2-13,4(7,8)9)5(10,11)12/h1-2H/b2-1+ |
| Isomeric SMILES | C(=C/I)\C(C(F)(F)F)(C(F)(F)F)F |
| PubChem CID | 5378967 |
| Molecular Weight | 321.96 |
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
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Organohalogen compounds
- Class Vinyl halides
- Subclass Vinyl iodides
- Class Vinyl halides
- Superclass Organohalogen compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organohalogen compounds |
| Class | Vinyl halides |
| Subclass | Vinyl iodides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Vinyl iodides |
| Alternative Parents | Iodoalkenes Organoiodides Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Iodoalkene - Haloalkene - Vinyl iodide - Hydrocarbon derivative - Organoiodide - Organofluoride - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as vinyl iodides. These are vinyl halides in which a iodine atom is bonded to an sp2-hybridised carbon atom. |
| External Descriptors | Not available |
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 | 321.960 g/mol |
|---|---|
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 1 |
| Exact Mass | 321.909 Da |
| Monoisotopic Mass | 321.909 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 186.000 |
| 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 |
Solution Calculators
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