≥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 | 488184092 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488184092 |
| Canonical Smiles | C1=CC(=CC(=C1)F)CC#N |
| IUPAC Name | 2-(3-fluorophenyl)acetonitrile |
| InChIKey | DEJPYROXSVVWIE-UHFFFAOYSA-N |
| INCHI | 1S/C8H6FN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4H2 |
| Isomeric SMILES | C1=CC(=CC(=C1)F)CC#N |
| WGK Germany | 3 |
| Molecular Weight | 135.14 |
| Beilstein | 1861071 |
| Reaxy-Rn | 1861071 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1861071&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 | Benzyl cyanides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzyl cyanides |
| Alternative Parents | Fluorobenzenes Aryl fluorides Nitriles Organopnictogen compounds Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzyl-cyanide - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzyl cyanides. These are organic compounds containing an acetonitrile with one hydrogen replaced by 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 |
|---|---|---|---|
 F2214364 | Certificate of Analysis | Feb 24, 2026 | F122867 |
| F2214368 | Certificate of Analysis | Feb 24, 2026 | F122867 |
| F2214819 | Certificate of Analysis | Feb 24, 2026 | F122867 |
| G1422050 | Certificate of Analysis | Jan 27, 2026 | F122867 |
| D2313680 | Certificate of Analysis | Jan 14, 2022 | F122867 |
| G2314104 | Certificate of Analysis | Jan 14, 2022 | F122867 |
| Refractive Index | 1.502 |
|---|---|
| Flash Point(°F) | 235.4 °F |
| Flash Point(°C) | >110°C(230°F) |
| Boil Point(°C) | 230°C |
| Melt Point(°C) | 21 °C |
| Molecular Weight | 135.140 g/mol |
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 135.048 Da |
| Monoisotopic Mass | 135.048 Da |
| Topological Polar Surface Area | 23.800 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 147.000 |
| 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 |
