≥95%(GC) 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488192483 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488192483 |
| Canonical Smiles | CC(=O)CC1=CC(=CC=C1)Cl |
| IUPAC Name | 1-(3-chlorophenyl)propan-2-one |
| InChIKey | VCNYPJMEQHTAHS-UHFFFAOYSA-N |
| INCHI | 1S/C9H9ClO/c1-7(11)5-8-3-2-4-9(10)6-8/h2-4,6H,5H2,1H3 |
| Isomeric SMILES | CC(=O)CC1=CC(=CC=C1)Cl |
| Molecular Weight | 168.62 |
| Reaxy-Rn | 2043548 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2043548&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 |
| Class | Benzene and substituted derivatives |
| Subclass | Phenylpropanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpropanes |
| Alternative Parents | Chlorobenzenes Aryl chlorides Ketones Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylpropane - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. |
| 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 |
|---|---|---|---|
 G1909208 | Certificate of Analysis | Apr 17, 2023 | C154068 |
| C2506141 | Certificate of Analysis | Sep 06, 2022 | C154068 |
| L2203402 | Certificate of Analysis | Sep 06, 2022 | C154068 |
| L2203404 | Certificate of Analysis | Sep 06, 2022 | C154068 |
| L2203425 | Certificate of Analysis | Sep 06, 2022 | C154068 |
| L2205020 | Certificate of Analysis | Sep 06, 2022 | C154068 |
| L2205033 | Certificate of Analysis | Sep 06, 2022 | C154068 |
| Refractive Index | 1.5340 to 1.5380 |
|---|---|
| Boil Point(°C) | 99°C/5mmHg |
| Molecular Weight | 168.620 g/mol |
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 168.034 Da |
| Monoisotopic Mass | 168.034 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 144.000 |
| 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 |
