| Pubchem Sid | 488190460 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488190460 |
| Canonical Smiles | CC1=C(C=C(C=C1)C#N)F |
| IUPAC Name | 3-fluoro-4-methylbenzonitrile |
| InChIKey | KUQQONVKIURIQU-UHFFFAOYSA-N |
| INCHI | 1S/C8H6FN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,1H3 |
| Isomeric SMILES | CC1=C(C=C(C=C1)C#N)F |
| WGK Germany | 3 |
| Molecular Weight | 135.14 |
| Beilstein | 7700177 |
| Reaxy-Rn | 7700177 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7700177&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 | Benzonitriles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzonitriles |
| Alternative Parents | Toluenes Fluorobenzenes Aryl fluorides Nitriles Organopnictogen compounds Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzonitrile - Toluene - 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 benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent. |
| 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 |
|---|---|---|---|
 K2123148 | Certificate of Analysis | Sep 04, 2025 | F120484 |
| E1316068 | Certificate of Analysis | Jan 20, 2025 | F120484 |
| D1614079 | Certificate of Analysis | Dec 18, 2023 | F120484 |
| D2313593 | Certificate of Analysis | Apr 26, 2023 | F120484 |
| D2313595 | Certificate of Analysis | Apr 26, 2023 | F120484 |
| L2213441 | Certificate of Analysis | Aug 30, 2022 | F120484 |
| L2213442 | Certificate of Analysis | Aug 30, 2022 | F120484 |
| L2213444 | Certificate of Analysis | Aug 30, 2022 | F120484 |
| L2213445 | Certificate of Analysis | Aug 30, 2022 | F120484 |
| L2213446 | Certificate of Analysis | Aug 30, 2022 | F120484 |
| Solubility | Soluble in Methanol |
|---|---|
| Flash Point(°F) | 181.4 °F |
| Flash Point(°C) | 83°C |
| Boil Point(°C) | 204°C |
| Melt Point(°C) | 45-49°C |
| Molecular Weight | 135.140 g/mol |
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| 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 | 158.000 |
| 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 |
