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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCOCC(CCl)O |
|---|---|
| IUPAC Name | 1-chloro-3-ethoxypropan-2-ol |
| InChIKey | XHIINWKFCZSGNY-UHFFFAOYSA-N |
| INCHI | 1S/C5H11ClO2/c1-2-8-4-5(7)3-6/h5,7H,2-4H2,1H3 |
| Isomeric SMILES | CCOCC(CCl)O |
| Molecular Weight | 138.595 |
| Reaxy-Rn | 1734309 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1734309&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 | Organohalogen compounds |
| Class | Halohydrins |
| Subclass | Chlorohydrins |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Chlorohydrins |
| Alternative Parents | Secondary alcohols Dialkyl ethers Organochlorides Hydrocarbon derivatives Alkyl chlorides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Secondary alcohol - Chlorohydrin - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organochloride - Alkyl halide - Alkyl chloride - Alcohol - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as chlorohydrins. These are alcohols substituted by a chlorine atom at a saturated carbon atom otherwise bearing only hydrogen or hydrocarbyl groups. |
| External Descriptors | Not available |
| Molecular Weight | 138.590 g/mol |
|---|---|
| XLogP3 | 0.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 138.045 Da |
| Monoisotopic Mass | 138.045 Da |
| Topological Polar Surface Area | 29.500 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 49.700 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |