≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged,Desiccated 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.
2-Fluorophenyl isothiocyanate has been used in the synthesis of acylthiosemicarbazides.
| Pubchem Sid | 528771783 |
|---|---|
| Canonical Smiles | C1=CC=C(C(=C1)N=C=S)F |
| IUPAC Name | 1-fluoro-2-isothiocyanatobenzene |
| InChIKey | OAGDRIUTLPDSMJ-UHFFFAOYSA-N |
| INCHI | 1S/C7H4FNS/c8-6-3-1-2-4-7(6)9-5-10/h1-4H |
| Isomeric SMILES | C1=CC=C(C(=C1)N=C=S)F |
| WGK Germany | 3 |
| PubChem CID | 97520 |
| Molecular Weight | 153.17 |
| Beilstein | 4176581 |
| Reaxy-Rn | 4176581 |
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 Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Fluorobenzene - Aryl halide - Aryl fluoride - Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen 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 |
| Refractive Index | 1.6254 |
|---|---|
| Flash Point(°F) | 206°F |
| Flash Point(°C) | 97℃ |
| Boil Point(°C) | 104°C/8mmHg |
| Molecular Weight | 153.180 g/mol |
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 153.005 Da |
| Monoisotopic Mass | 153.005 Da |
| Topological Polar Surface Area | 44.500 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 154.000 |
| 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 |
I2525567