≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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 67 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488192804 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488192804 |
| Sourires canoniques | CCOC(=O)C1=CC(=CC(=C1)Cl)Cl |
| IUPAC Name | ethyl 3,5-dichlorobenzoate |
| InChIKey | JRLNLVFPSMDPLU-UHFFFAOYSA-N |
| INCHI | 1S/C9H8Cl2O2/c1-2-13-9(12)6-3-7(10)5-8(11)4-6/h3-5H,2H2,1H3 |
| Isomères SMILES | CCOC(=O)C1=CC(=CC(=C1)Cl)Cl |
| Poids moléculaire | 219.06 |
| Reaxy-Rn | 2259632 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2259632&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 |
| Classe | 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 Dichlorobenzenes Benzoyl derivatives Aryl chlorides Carboxylic acid esters Monocarboxylic acids and derivatives Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzoate ester - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoyl - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organooxygen 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Article |
|---|---|---|---|
 A2419343 | Certificate of Analysis | Oct 11, 2022 | E188046 |
| A2419344 | Certificate of Analysis | Oct 11, 2022 | E188046 |
| A2419345 | Certificate of Analysis | Oct 11, 2022 | E188046 |
| A2419346 | Certificate of Analysis | Oct 11, 2022 | E188046 |
| J2219338 | Certificate of Analysis | Aug 10, 2022 | E188046 |
| J2219344 | Certificate of Analysis | Aug 10, 2022 | E188046 |
| J2219418 | Certificate of Analysis | Aug 10, 2022 | E188046 |
| J2219589 | Certificate of Analysis | Aug 10, 2022 | E188046 |
| K2416008 | Certificate of Analysis | Aug 10, 2022 | E188046 |
| K2416034 | Certificate of Analysis | Aug 10, 2022 | E188046 |
| Poids moléculaire | 219.060 g/mol |
|---|---|
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 217.99 Da |
| Monoisotopic Mass | 217.99 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 174.000 |
| 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 |
