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3,3-Difluorocyclobutanecarbonyl chloride - ≥95% , CAS No.946488-78-4
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Storage
Room temperature
Shipped In
Normal
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Why this grade
≥95% 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
≥95%
Storage
Room temperature
Shipped In
Normal
Purity
≥95%
Names and Identifiers
| Canonical Smiles | C1C(CC1(F)F)C(=O)Cl |
|---|---|
| IUPAC Name | 3,3-difluorocyclobutane-1-carbonyl chloride |
| InChIKey | KGCHVYYLIWLLFD-UHFFFAOYSA-N |
| INCHI | 1S/C5H5ClF2O/c6-4(9)3-1-5(7,8)2-3/h3H,1-2H2 |
| Isomeric SMILES | C1C(CC1(F)F)C(=O)Cl |
| PubChem CID | 83855003 |
| Molecular Weight | 154.54 |
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 Acyl halides
- Subclass Acyl chlorides
- Class Acyl halides
- Superclass Organohalogen compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organohalogen compounds |
| Class | Acyl halides |
| Subclass | Acyl chlorides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Acyl chlorides |
| Alternative Parents | Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organochloride - Carbonyl group - Alkyl halide - Alkyl fluoride - Aliphatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as acyl chlorides. These are organic compounds containing the functional group -CO-Cl. |
| 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 | 154.540 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 154 Da |
| Monoisotopic Mass | 154 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 138.000 |
| 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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Customer Reviews
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