≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships ノーマル 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| パブケム・シド | 504757255 |
|---|---|
| パブケム・シド・ウル | https://pubchem.ncbi.nlm.nih.gov/substance/504757255 |
| カノニカル・スマイル | CCOC(=O)C1=CC=C(C=C1)I |
| IUPAC Name | ethyl 4-iodobenzoate |
| InChIKey | YCBJOQUNPLTBGG-UHFFFAOYSA-N |
| INCHI | 1S/C9H9IO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3 |
| 異性体SMILES | CCOC(=O)C1=CC=C(C=C1)I |
| WGKドイツ | 3 |
| 分子量 | 276.07 |
| Reaxy-Rn | 2208568 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2208568&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 | 4-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 - 4-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 |
|---|---|---|---|
 D2129055 | Certificate of Analysis | Aug 03, 2026 | E103133 |
| D2129057 | Certificate of Analysis | Aug 03, 2026 | E103133 |
| G2214220 | Certificate of Analysis | Jan 19, 2026 | E103133 |
| G2214223 | Certificate of Analysis | Jan 19, 2026 | E103133 |
| G2214224 | Certificate of Analysis | Jan 19, 2026 | E103133 |
| G2214225 | Certificate of Analysis | Jan 19, 2026 | E103133 |
| A2217095 | Certificate of Analysis | Jun 11, 2025 | E103133 |
| 感度 | Light sensitive. |
|---|---|
| 屈折率 | 1.588 |
| 引火点（°F） | >230 °F |
| 引火点（°C） | >110 °C |
| 沸点（°C） | 283°C |
| 分子量 | 276.070 g/mol |
| XLogP3 | 3.300 |
| 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 | 151.000 |
| 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 |
| 1. Jingxuan Lu, Jingwen Luo, Jie Li, Shiyan Fu, Yonghong Ran, Juan Li, Yazhen Zhao, Yuhui Hao. (2023) Fluorescent Pirfenidone-Cerium(III) nanocomplexes protect against radiation-induced pulmonary fibrosis and inhibit tumor cell growth. JOURNAL OF DRUG DELIVERY SCIENCE AND TECHNOLOGY, [PMID:] [10.1016/j.jddst.2023.104651] |
| 2. Jiahe Huang, Zhengjin Zhou, Chunhong Zhang, Chao Wang, Yanli Zhou, Lijia Liu, Junqing Li, Toshifumi Satoh, Yoshio Okamoto. (2023) Hybridization of helical poly(phenylacetylene)s bearing L-proline tripeptide pendants into porous silica microspheres as a solvent-tolerable chiral stationary phase for liquid chromatography. ANALYST, 148 (8): (1877-1886). [PMID:36960700] [10.1039/D3AN00061C] |
