≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice,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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
1,3-Dichloroacetone has been identified as a metabolite of 1,3-dichloropropanol by TLC. Kinetics of the reversible hydration of 1,3-dichloroacetone have been studied spectrophotometrically in solutions of water in dioxan and in acetonitrile.1,3-Dichloroacetone was used as acceptor substrate in the cross-aldol reaction with donor substrates such as acetone, cyclopentanone and cyclohexanone.
| Pubchem Sid | 528753741 |
|---|---|
| 정식 스마일 | C(C(=O)CCl)Cl |
| IUPAC Name | 1,3-dichloropropan-2-one |
| InChIKey | SUNMBRGCANLOEG-UHFFFAOYSA-N |
| INCHI | 1S/C3H4Cl2O/c4-1-3(6)2-5/h1-2H2 |
| 이성체 SMILES | C(C(=O)CCl)Cl |
| UN 번호 | 2649 |
| 포장 그룹 | II |
| 분자량 | 126.97 |
| Reaxy-Rn | 605456 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605456&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 oxygen compounds |
| 분류 | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Alpha-haloketones |
| Direct Parent | Alpha-chloroketones |
| Alternative Parents | Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Alpha-chloroketone - Organic oxide - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound |
| 설명 | This compound belongs to the class of organic compounds known as alpha-chloroketones. These are organic compounds contaning a chlorine atom attached to the alpha carbon atom relative to C=O group. |
| External Descriptors | Not available |
| 용해성 | Solubility：Soluble in water， alcohol， ether |
|---|---|
| 발화점(°C) | 89°C |
| 끓는점(°C) | 172-173 |
| 녹는점(°C) | 40-44 |
| 분자량 | 126.970 g/mol |
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 125.964 Da |
| Monoisotopic Mass | 125.964 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 46.800 |
| 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. Dandan Li, Lihua Gong, Zhenyang Qiao, Congcong Zhu, Qiaojuan Jia, Huajie Kong, Shuyan Jiao. (2020) A highly selective colorimetric fluorescence probe for Cu2+ in aqueous media: the synthesis, DFT investigation and its application in living cells. Analytical Methods, 12 (7): (943-950). [PMID:] [10.1039/C9AY02590A] |
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