4-fluorobenzoyl isothiocyanate CAS 78225-74-8
| CAS No. | 78225-74-8 |
| Molecular Formula | C8H4FNOS |
| Molecular Weight | 181.19 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 4-fluorobenzoyl isothiocyanate (C8H4FNOS) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 181.19 g/mol, it falls into the medium-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
4-fluorobenzoyl isothiocyanate (CAS 78225-74-8), molecular formula C8H4FNOS and molecular weight 181.19 g/mol, is a CATO reference standard with documented purity and traceability.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C8H4FNOS |
| Molecular Weight | 181.19 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1979 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related fluorobenzoyl Standards
- 3-Fluorobenzoyl isothiocyanate (CAS 100663-24-9)
- 2-Fluorobenzoyl isothiocyanate (CAS 73945-65-0)
- 1-(4-Fluorobenzoyl)cyclopropan-1-amine (CAS 1017487-17-0)
- 3-(4-Fluorobenzoyl)azetidine (CAS 149452-32-4)
- 2-(3-Fluorobenzoyl)propanedinitrile (CAS 1463506-79-7)
- 2-(2-Fluorobenzoyl)propanedinitrile (CAS 1485339-53-4)
- 2-(4-Fluorobenzoyl)-propanedinitrile (CAS 956025-35-7)
- 3-(2-Fluorobenzoyl)-1h-pyrrole (CAS 198126-03-3)
Recommended Standards
- 4-Ethyl-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid (CAS 2672572-32-4)
- 4-Formyl-1,2,5-trimethyl-1h-pyrrole-3-carboxylic acid (CAS 861582-85-6)
- 4-Ethoxy-6-methylpyrimidine-2-carboxamide (CAS 98594-51-5)
- 4-Formyl-1-naphthonitrile (CAS 62855-39-4)
- [[2-Oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-(phenyl)amino]acetic acid (CAS 1142211-53-7)
- [4-(Trifluoromethyl)phenyl]methylphosphonic acid (CAS 146780-15-6)
- 2-(2-Bromo-4-methylphenyl)acetic Acid (CAS 25297-16-9)
- 3-fluoranylprop-1-ene 3-fluoro-1-propene 818-92-8 A840213 (CAS 818-92-8)
- N-(6-Amino-1H-benzo[d]imidazol-2-yl)-4-cyanobenzamide (CAS 919763-50-1)
- 1-(Pyridin-2-ylmethyl)-4-(trifluoromethyl)-1h-pyrrole-3-carboxylic acid (CAS 1221724-75-9)
- 3-(1,1-Dioxidotetrahydrothiophen-3-yl)-1,1-dimethylurea (CAS 301860-85-5)
- 2-cyclobutylethane-1-sulfonyl chloride (CAS 1699076-35-1)
- 4-(Cyclopropylamino)-3-nitrobenzonitrile (CAS 710967-04-7)
- Semaglutide Impurity 15 (CAS CATO-C4X-222615)
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