8-Fluoro-3,4-dihydrobenzo[b]oxepin-5(2H)-one CAS 127557-04-4
| CAS No. | 127557-04-4 |
| Molecular Formula | C10H9FO2 |
| Molecular Weight | 180.18 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
8-Fluoro-3,4-dihydrobenzo[b]oxepin-5(2H)-one (CAS 127557-04-4), molecular formula C10H9FO2 and molecular weight 180.18 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system, 8-Fluoro-3,4-dihydrobenzo[b]oxepin-5(2H)-one is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 180.18 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 8-Fluoro-3,4-dihydrobenzo[b]oxepin-5(2H)-one meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C10H9FO2 |
| Molecular Weight | 180.18 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1993 |
| Halogen Content | F-containing |
Related Fluoro Standards
- 7-fluoro-4-methyl-1,2,3,4-tetrahydroquinoxalin-2-one (CAS 1033312-09-2)
- 7-Fluoro-4-methoxy-2,3-dihydro-1H-inden-1-one (CAS 1092347-31-3)
- 6-Fluoro-4-methoxy-2,3-dihydro-1H-inden-1-one (CAS 1092347-59-5)
- 4-Fluoro-6-methoxy-2,3-dihydro-1H-inden-1-one (CAS 1092347-61-9)
- 6-Fluoro-8-methylchroman-4-one (CAS 1092349-07-9)
- 6-Fluoro-7-methylchroman-4-one (CAS 1092349-34-2)
- 9-Fluoro-3,4-dihydrobenzo[b]oxepin-5(2H)-one (CAS 1094299-21-4)
- 6-Fluoro-3-methyl-chroman-4-one (CAS 113209-67-9)
Recommended Standards
- (E)-4-(2-fluorophenyl)but-3-enoic acid (CAS 127406-53-5)
- Thiazolo[5,4-b]pyridine-5-carboxylic acid (CAS 1304788-06-4)
- 4-(3-Fluorophenyl)but-3-enoic acid (CAS 127404-67-5)
- 1-(2-Fluorophenyl)-1,3-butanedione (CAS 131513-64-9)
- (1-Isobutylcyclohexyl)methanol (CAS 1430752-03-6)
- 2-Phenyl Benzoic Anhydride (CAS 33813-33-1)
- (1S,2S)-N1,N2-dibenzylcyclohexane-1,2-diamine (CAS 191480-61-2)
- 4-Ethynyl-N,N-dimethylbenzamide (CAS 851895-23-3)
- (R)-tert-Butyl benzyl(2-hydroxy-3-phenylpropyl)carbamate (CAS 2766303-87-9)
- 7-Bromo-5,8-dichloro-3,4-dihydroisoquinolin-1(2H)-one, 97% (CAS 1616289-35-0)
- 4-(4-Chlorophenoxy)-2-phenylpyrimidine-5-carboxylic acid (CAS 477859-46-4)
- 5-Chloro-2-(methylthio)oxazolo[4,5-b]pyridine (CAS 1783370-92-2)
- 5-Bromo-1,3,4-thiadiazole-2-carbonitrile (CAS 916889-37-7)
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