≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| パブケム・シド | 488188165 |
|---|---|
| パブケム・シド・ウル | https://pubchem.ncbi.nlm.nih.gov/substance/488188165 |
| カノニカル・スマイル | CCOC(=O)C1=CC(=CC=C1)I |
| IUPAC Name | ethyl 3-iodobenzoate |
| InChIKey | POGCXCWRMMXDAQ-UHFFFAOYSA-N |
| INCHI | 1S/C9H9IO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3 |
| 異性体SMILES | CCOC(=O)C1=CC(=CC=C1)I |
| WGKドイツ | 3 |
| 分子量 | 276.07 |
| Beilstein | 9(4)1034 |
| Reaxy-Rn | 2089064 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2089064&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| 分類 | 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 Iodobenzenes Aryl iodides Carboxylic acid esters Monocarboxylic acids and derivatives Organooxygen compounds Organoiodides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzoate ester - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Iodobenzene - Halobenzene - Aryl iodide - Aryl halide - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Organoiodide - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| 説明 | 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | 日付 | 商品 |
|---|---|---|---|
 H2405314 | Certificate of Analysis | Jul 23, 2024 | E156207 |
| H2405315 | Certificate of Analysis | Jul 23, 2024 | E156207 |
| H2405322 | Certificate of Analysis | Jul 23, 2024 | E156207 |
| C2309729 | Certificate of Analysis | Jan 03, 2023 | E156207 |
| C2309731 | Certificate of Analysis | Jan 03, 2023 | E156207 |
| C2309732 | Certificate of Analysis | Jan 03, 2023 | E156207 |
| C2309733 | Certificate of Analysis | Jan 03, 2023 | E156207 |
| C2309734 | Certificate of Analysis | Jan 03, 2023 | E156207 |
| C2309800 | Certificate of Analysis | Jan 03, 2023 | E156207 |
| 感度 | Light Sensitive,Air Sensitive |
|---|---|
| 屈折率 | 1.58 |
| 引火点（°F） | 230 °F |
| 引火点（°C） | 110 °C |
| 沸点（°C） | 161°C/38mmHg |
| 分子量 | 276.070 g/mol |
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 275.965 Da |
| Monoisotopic Mass | 275.965 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 159.000 |
| 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 |
