≥98% 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 | 488190044 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488190044 |
| Canonical Smiles | CCC(=O)C1=CC(=C(C=C1)F)F |
| IUPAC Name | 1-(3,4-difluorophenyl)propan-1-one |
| InChIKey | FSZOBSMJJFHVCQ-UHFFFAOYSA-N |
| INCHI | 1S/C9H8F2O/c1-2-9(12)6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3 |
| Isomeric SMILES | CCC(=O)C1=CC(=C(C=C1)F)F |
| Molecular Weight | 170.16 |
| Reaxy-Rn | 2088650 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2088650&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 |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Phenylpropanes Benzoyl derivatives Aryl alkyl ketones Fluorobenzenes Aryl fluorides Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alkyl-phenylketone - Phenylpropane - Aryl alkyl ketone - Benzoyl - Halobenzene - Fluorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Organic oxide - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
| 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 |
|---|---|---|---|
 I2207574 | Certificate of Analysis | Jun 10, 2025 | D353579 |
| I2207575 | Certificate of Analysis | Jun 10, 2025 | D353579 |
| I2207576 | Certificate of Analysis | Jun 10, 2025 | D353579 |
| G2306157 | Certificate of Analysis | Jul 04, 2022 | D353579 |
| Refractive Index | 1.488 |
|---|---|
| Boil Point(°C) | 64-65°C |
| Molecular Weight | 170.160 g/mol |
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 170.054 Da |
| Monoisotopic Mass | 170.054 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 170.000 |
| 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 |
