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methyl 5-bromo-2,3-dihydro-1H-indene-2-carboxylate - ≥98% , CAS No.628732-09-2
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Storage
Room temperature
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Why this grade
≥98% 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
Specifications & Purity
≥98%
Storage
Room temperature
Purity
≥98%
Names and Identifiers
| Canonical Smiles | COC(=O)C1CC2=C(C1)C=C(C=C2)Br |
|---|---|
| IUPAC Name | methyl 5-bromo-2,3-dihydro-1H-indene-2-carboxylate |
| InChIKey | JAPHEQMSWZSACK-UHFFFAOYSA-N |
| INCHI | 1S/C11H11BrO2/c1-14-11(13)9-4-7-2-3-10(12)6-8(7)5-9/h2-3,6,9H,4-5H2,1H3 |
| Isomeric SMILES | COC(=O)C1CC2=C(C1)C=C(C=C2)Br |
| PubChem CID | 59509356 |
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 Benzenoids
- Class Indanes
- Superclass Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Indanes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indanes |
| Alternative Parents | Aryl bromides Methyl esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Indane - Aryl halide - Aryl bromide - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring. |
| 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 | 255.110 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 253.994 Da |
| Monoisotopic Mass | 253.994 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 229.000 |
| 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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Customer Reviews
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