≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice 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.
| Canonical Smiles | C1=CC(=CC=C1CCN=C=O)F |
|---|---|
| IUPAC Name | 1-fluoro-4-(2-isocyanatoethyl)benzene |
| InChIKey | FDCHHLBMDMJXGM-UHFFFAOYSA-N |
| INCHI | 1S/C9H8FNO/c10-9-3-1-8(2-4-9)5-6-11-7-12/h1-4H,5-6H2 |
| Isomeric SMILES | C1=CC(=CC=C1CCN=C=O)F |
| WGK Germany | 3 |
| Molecular Weight | 165.16 |
| Reaxy-Rn | 2718917 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2718917&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 | Halobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fluorobenzenes |
| Alternative Parents | Aryl fluorides Isocyanates Propargyl-type 1,3-dipolar organic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Fluorobenzene - Aryl fluoride - Aryl halide - Isocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring. |
| 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 |
|---|---|---|---|
 C2323221 | Certificate of Analysis | Jan 19, 2026 | B301354 |
| C2323233 | Certificate of Analysis | Jan 19, 2026 | B301354 |
| I2217193 | Certificate of Analysis | Jul 09, 2025 | B301354 |
| I2217236 | Certificate of Analysis | Jul 09, 2025 | B301354 |
| I2217241 | Certificate of Analysis | Jul 09, 2025 | B301354 |
| A2404482 | Certificate of Analysis | Jan 11, 2024 | B301354 |
| A2404483 | Certificate of Analysis | Jan 11, 2024 | B301354 |
| A2404489 | Certificate of Analysis | Jan 11, 2024 | B301354 |
| A2404490 | Certificate of Analysis | Jan 11, 2024 | B301354 |
| C2323224 | Certificate of Analysis | Apr 03, 2023 | B301354 |
| I2217276 | Certificate of Analysis | Aug 18, 2022 | B301354 |
| Sensitivity | Moisture sensitive |
|---|---|
| Flash Point(°F) | 199.4 °F |
| Flash Point(°C) | 93 °C |
| Boil Point(°C) | 232-233°C |
| Molecular Weight | 165.160 g/mol |
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 165.059 Da |
| Monoisotopic Mass | 165.059 Da |
| Topological Polar Surface Area | 29.400 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 169.000 |
| 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 |
