| Canonical Smiles | CCOC(=O)C(=C)CCl |
|---|---|
| IUPAC Name | ethyl 2-(chloromethyl)prop-2-enoate |
| InChIKey | KPXRGIVPSXFJEX-UHFFFAOYSA-N |
| INCHI | 1S/C6H9ClO2/c1-3-9-6(8)5(2)4-7/h2-4H2,1H3 |
| Isomeric SMILES | CCOC(=O)C(=C)CCl |
| UN Number | 3272 |
| Packing Group | III |
| Molecular Weight | 148.59 |
| Beilstein | 2(4)1541 |
| Reaxy-Rn | 1753937 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1753937&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 | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Carboxylic acid derivatives |
| Intermediate Tree Nodes | Carboxylic acid esters - Alpha,beta-unsaturated carboxylic esters |
| Direct Parent | Enoate esters |
| Alternative Parents | Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Enoate ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as enoate esters. These are an alpha,beta-unsaturated carboxylic ester of general formula R1C(R2)=C(R3)C(=O)OR4 (R4= organyl compound) in which the ester C=O function is conjugated to a C=C double bond at the alpha,beta position. |
| 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 | Item |
|---|---|---|---|
 L2409414 | Certificate of Analysis | Jul 19, 2024 | E156141 |
| Sensitivity | Heat Sensitive |
|---|---|
| Refractive Index | 1.45 |
| Boil Point(°C) | 72°C/17mmHg(lit.) |
| Molecular Weight | 148.590 g/mol |
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 148.029 Da |
| Monoisotopic Mass | 148.029 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 120.000 |
| 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 |
