≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships FedEx DG Service 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.
| Canonical Smiles | CCCCOC(=O)CCl |
|---|---|
| IUPAC Name | butyl 2-chloroacetate |
| InChIKey | YJRGMUWRPCPLNH-UHFFFAOYSA-N |
| INCHI | 1S/C6H11ClO2/c1-2-3-4-9-6(8)5-7/h2-5H2,1H3 |
| Isomeric SMILES | CCCCOC(=O)CCl |
| Molecular Weight | 150.6 |
| Beilstein | 2(4)482 |
| Reaxy-Rn | 1098801 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098801&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 | Alpha-halocarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Alpha-halocarboxylic acid derivatives |
| Alternative Parents | Carboxylic acid esters Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Alpha-halocarboxylic acid derivative - Carboxylic acid 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 alpha-halocarboxylic acid derivatives. These are carboxylic acid derivatives containing a halogen atom bonded to the alpha carbon atom. |
| 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 |
|---|---|---|---|
 C2123192 | Certificate of Analysis | Jan 06, 2025 | B152888 |
| C2123193 | Certificate of Analysis | Jan 06, 2025 | B152888 |
| C2123194 | Certificate of Analysis | Jan 06, 2025 | B152888 |
| C2124039 | Certificate of Analysis | Jan 06, 2025 | B152888 |
| F2418009 | Certificate of Analysis | Jul 01, 2024 | B152888 |
| L2426318 | Certificate of Analysis | Jun 26, 2024 | B152888 |
| L2426319 | Certificate of Analysis | Jun 26, 2024 | B152888 |
| K1814030 | Certificate of Analysis | Sep 13, 2022 | B152888 |
| Refractive Index | 1.43 |
|---|---|
| Flash Point(°C) | 80 °C |
| Boil Point(°C) | 183 °C |
| Molecular Weight | 150.600 g/mol |
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 150.045 Da |
| Monoisotopic Mass | 150.045 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 83.100 |
| 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. Yupei Deng, Fahui Li, Yiyue Shen, Qianwen Jiang, Mai Ouyang, Zhenhao Fu, Huajin Du, Zeyu Chen, Guowei Wang, Linghua Zhuang. (2023) Experimental and DFT Studies on Electrochemical Performances of Ester-Containing Vinylimidazolium Ionic Liquids: Effect of the Ester Substituent and Anion. JOURNAL OF CHEMICAL AND ENGINEERING DATA, [PMID:] [10.1021/acs.jced.2c00729] |
| 2. Zhang Jingchun, Wang Qiqi, Chen Haoyuan, Zhang Yilin, Deng Yupei, Wang Ying, Zhao Huimin, Zhu Yu, Wang Guowei, Zhuang Linghua. (2024) Effect of ester chain length and anion on electrochemical properties of imidazolium dicyanamide ionic liquids: experimental and theoretical studies. IONICS, [PMID:] [10.1007/s11581-024-05714-y] |
