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1,2-Dichloro-1,1,2-trifluoro-4-iodobutane , CAS No.679-69-6
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)Cl)(F)Cl |
|---|---|
| IUPAC Name | 1,2-dichloro-1,1,2-trifluoro-4-iodobutane |
| InChIKey | UKUOPLZDHNKUBO-UHFFFAOYSA-N |
| INCHI | 1S/C4H4Cl2F3I/c5-3(7,1-2-10)4(6,8)9/h1-2H2 |
| Isomeric SMILES | C(CI)C(C(F)(F)Cl)(F)Cl |
| PubChem CID | 4712671 |
| Molecular Weight | 306.88 |
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 Organoiodides
- Superclass Organohalogen compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organohalogen compounds |
| Class | Organoiodides |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Organoiodides |
| Alternative Parents | Organofluorides Organochlorides Hydrocarbon derivatives Alkyl iodides Alkyl fluorides Alkyl chlorides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Hydrocarbon derivative - Organoiodide - Organofluoride - Organochloride - Alkyl iodide - Alkyl halide - Alkyl fluoride - Alkyl chloride - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as organoiodides. These are compounds containing a chemical bond between a carbon atom and an iodine 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
| Boil Point(°C) | 65°/25mm |
|---|---|
| Molecular Weight | 306.880 g/mol |
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 305.869 Da |
| Monoisotopic Mass | 305.869 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 121.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| 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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