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Decafluorocyclohexanone , CAS No.1898-91-5
注文可能
Storage
Room temperature
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
保管条件
Room temperature
名前と識別子
| カノニカル・スマイル | C1(=O)C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F |
|---|---|
| IUPAC Name | 2,2,3,3,4,4,5,5,6,6-decafluorocyclohexan-1-one |
| InChIKey | YUMDTEARLZOACP-UHFFFAOYSA-N |
| INCHI | 1S/C6F10O/c7-2(8)1(17)3(9,10)5(13,14)6(15,16)4(2,11)12 |
| 異性体SMILES | C1(=O)C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F |
| PubChem CID | 12570757 |
| 分子量 | 278.05 |
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 Organic oxygen compounds
- 分類 Organooxygen compounds
- Subclass Carbonyl compounds
- Level5 Ketones
- Level6 Alpha-haloketones
- Level5 Ketones
- Subclass Carbonyl compounds
- 分類 Organooxygen compounds
- Superclass Organic oxygen compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| 分類 | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones |
| Direct Parent | Alpha-haloketones |
| Alternative Parents | Cyclic ketones Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Alpha-haloketone - Cyclic ketone - Organic oxide - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic homomonocyclic compound |
| 説明 | This compound belongs to the class of organic compounds known as alpha-haloketones. These are organic compounds contaning a halogen atom attached to the alpha carbon atom relative to C=O group. |
| External Descriptors | Not available |
3 D構造
インタラクティブ化学構造モデル
証明書（CoA、COO、BSE/TSEと分析図）
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
化学的性質と物理的性質
| 融点（°C） | 24 |
|---|---|
| 分子量 | 278.050 g/mol |
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 0 |
| Exact Mass | 277.979 Da |
| Monoisotopic Mass | 277.979 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 337.000 |
| 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 |
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