| Pubchem Sid | 504761549 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504761549 |
| Canonical Smiles | CNC1=CC(=CC=C1)F |
| IUPAC Name | 3-fluoro-N-methylaniline |
| InChIKey | FHYDHJXZZQCXOX-UHFFFAOYSA-N |
| INCHI | 1S/C7H8FN/c1-9-7-4-2-3-6(8)5-7/h2-5,9H,1H3 |
| Isomeric SMILES | CNC1=CC(=CC=C1)F |
| WGK Germany | 2 |
| UN Number | 1992 |
| Packing Group | III |
| Molecular Weight | 125.14 |
| Reaxy-Rn | 2802318 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2802318&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 nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | Amines |
| Intermediate Tree Nodes | Aralkylamines |
| Direct Parent | Phenylalkylamines |
| Alternative Parents | Aniline and substituted anilines Secondary alkylarylamines Fluorobenzenes Aryl fluorides Organopnictogen compounds Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Halobenzene - Fluorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Secondary amine - Organopnictogen compound - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylalkylamines. These are organic amines where the amine group is secondary and linked on one end to a phenyl group and on the other end, to an alkyl 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 |
|---|---|---|---|
 J2522057 | Certificate of Analysis | Nov 06, 2025 | F168315 |
| F2102035 | Certificate of Analysis | Mar 04, 2025 | F168315 |
| G2014082 | Certificate of Analysis | Apr 07, 2024 | F168315 |
| J2425673 | Certificate of Analysis | Mar 14, 2024 | F168315 |
| B2321467 | Certificate of Analysis | Feb 27, 2023 | F168315 |
| G2315491 | Certificate of Analysis | Feb 27, 2023 | F168315 |
| B2314407 | Certificate of Analysis | Feb 20, 2023 | F168315 |
| B2418164 | Certificate of Analysis | Dec 23, 2022 | F168315 |
| L2214858 | Certificate of Analysis | Dec 23, 2022 | F168315 |
| Refractive Index | n20/D 1.5390 |
|---|---|
| Flash Point(°F) | 187 °F |
| Flash Point(°C) | 86 °C |
| Boil Point(°C) | 94°C/19mmHg |
| Molecular Weight | 125.140 g/mol |
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 125.064 Da |
| Monoisotopic Mass | 125.064 Da |
| Topological Polar Surface Area | 12.000 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 85.000 |
| 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 |
