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methyl 2-cyano-5-iodo-benzoate - ≥97% , CAS No.58332-00-6
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Storage
Store at 2-8°C
Shipped In
Wet ice
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Why this grade
≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Store at 2-8°C Ships Wet ice 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
≥97%
Storage
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥97%
Product Properties
| ALogP | 2.1 |
|---|
Names and Identifiers
| Canonical Smiles | COC(=O)C1=C(C=CC(=C1)I)C#N |
|---|---|
| InChIKey | FTMUDTOUHNUCRP-UHFFFAOYSA-N |
| INCHI | 1S/C9H6INO2/c1-13-9(12)8-4-7(10)3-2-6(8)5-11/h2-4H,1H3 |
| Isomeric SMILES | COC(=O)C1=C(C=CC(=C1)I)C#N |
| PubChem CID | 53419575 |
| Molecular Weight | 287.05 |
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 Benzenoids
- Class Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
- Class Benzene and substituted derivatives
- Superclass Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoic acid esters |
| Alternative Parents | 3-halobenzoic acids and derivatives Benzoyl derivatives Benzonitriles Iodobenzenes Fatty acid esters Methyl esters Enoate esters Vinyl iodides Nitriles Monocarboxylic acids and derivatives Iodoalkenes Organopnictogen compounds Organooxygen compounds Organoiodides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoate ester - Benzoyl - Benzonitrile - Iodobenzene - Halobenzene - Fatty acid ester - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Iodoalkene - Haloalkene - Vinyl iodide - Vinyl halide - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. |
| 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:
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