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5-Bromo-2-methoxycyclohepta-2,4,6-trien-1-one , CAS No.33816-51-2
AVAILABLE TO ORDER
Storage
Room temperature
Shipped In
Normal
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Why this grade
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
Storage
Room temperature
Shipped In
Normal
Names and Identifiers
| Canonical Smiles | COC1=CC=C(C=CC1=O)Br |
|---|---|
| IUPAC Name | 5-bromo-2-methoxycyclohepta-2,4,6-trien-1-one |
| InChIKey | MSEOPRICQZFYBP-UHFFFAOYSA-N |
| INCHI | 1S/C8H7BrO2/c1-11-8-5-3-6(9)2-4-7(8)10/h2-5H,1H3 |
| Molecular Weight | 215.04 |
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 Hydrocarbon derivatives
- Class Tropones
- Superclass Hydrocarbon derivatives
| Kingdom | Organic compounds |
|---|---|
| Superclass | Hydrocarbon derivatives |
| Class | Tropones |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tropones |
| Alternative Parents | Alkyl aryl ethers Aryl bromides Cyclic ketones Organobromides Organic oxides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Tropone - Alkyl aryl ether - Aryl halide - Aryl bromide - Cyclic ketone - Ether - Organic oxygen compound - Organic oxide - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as tropones. These are compounds containing a tropone ring, which is a cycloheptatrienone ring bearing a ketone group. |
| 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 | 215.040 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 213.963 Da |
| Monoisotopic Mass | 213.963 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 261.000 |
| 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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