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Cyclohexyltrifluoroacetone , CAS No.457-49-8
주문 가능
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
보관 조건
Room temperature
이름과 식별자
정식 스마일
C1CCC(CC1)CC(=O)C(F)(F)F
IUPAC Name
3-cyclohexyl-1,1,1-trifluoropropan-2-one
InChIKey
KHUKBKZRTMEANV-UHFFFAOYSA-N
INCHI
1S/C9H13F3O/c10-9(11,12)8(13)6-7-4-2-1-3-5-7/h7H,1-6H2
이성체 SMILES
C1CCC(CC1)CC(=O)C(F)(F)F
PubChem CID
11816384
분자량
194.2
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
- 분류 Organooxygen compounds
- Subclass Carbonyl compounds
- Level5 Ketones
- Level6 Alpha-haloketones
- Level5 Ketones
- Subclass Carbonyl compounds
- 분류 Organooxygen compounds
- Superclass Organic oxygen compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| 분류 | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones |
| Direct Parent | Alpha-haloketones |
| Alternative Parents | Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Alpha-haloketone - Organic oxide - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic homomonocyclic compound |
| 설명 | 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 |
3D 구조
상호 작용 화학 구조 모델
인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
화학 및 물리적 특성
| 분자량 | 194.190 g/mol |
|---|---|
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 194.092 Da |
| Monoisotopic Mass | 194.092 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 180.000 |
| 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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