4-(4-Fluorophenyl)-2,3-dihydrobenzo[b][1,4]thiazepine-2-carboxylic acid CAS 853902-04-2
| CAS No. | 853902-04-2 |
| Molecular Formula | C16H12FNO2S |
| Molecular Weight | 301.34 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-(4-Fluorophenyl)-2,3-dihydrobenzo[b][1,4]thiazepine-2-carboxylic acid is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
4-(4-Fluorophenyl)-2,3-dihydrobenzo[b][1,4]thiazepine-2-carboxylic acid (CAS 853902-04-2) is a high-purity analytical reference standard with the molecular formula C16H12FNO2S and a molecular weight of 301.34 g/mol.
Structurally, 4-(4-Fluorophenyl)-2,3-dihydrobenzo[b][1,4]thiazepine-2-carboxylic acid (C16H12FNO2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 301.34 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
CATO manufactures 4-(4-Fluorophenyl)-2,3-dihydrobenzo[b][1,4]thiazepine-2-carboxylic acid under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C16H12FNO2S |
| Molecular Weight | 301.34 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Fluorophenyl Standards
- 1-((4-Fluorophenyl)sulfonyl)piperidine-4-carbohydrazide (CAS 312534-13-7)
- {1-[(4-Fluorophenyl)sulfonyl]-piperidin-3-yl}acetic acid (CAS 1082412-21-2)
- (1-[(4-Fluorophenyl)sulfonyl]piperidin-2-yl)acetic acid (CAS 1171531-56-8)
- (4-Fluorophenyl)(4-(4-fluorophenyl)-1-methylpyrrolidin-3-yl)methanone (CAS 478050-08-7)
- 1-((2-Fluorophenyl)sulfonamido)cyclohexane-1-carboxylic acid (CAS 885268-90-6)
- 1-((3-Fluorophenyl)sulfonamido)cyclohexane-1-carboxylic acid (CAS 885269-11-4)
- Methyl 1-((4-fluorophenyl)sulfonyl)piperidine-4-carboxylate (CAS 349624-64-2)
- 1-(6-(3-Fluorophenyl)pyridazin-3-yl)piperidine-4-carboxylic acid (CAS 1119450-52-0)
Recommended Standards
- 4-(4-(2-Amino-6-methyl-4-oxo-1,4-dihydropyrimidin-5-yl)butyl)benzoic acid (CAS 4510-62-7)
- 4-(Dimethoxymethyl)-1,6,8-trimethylfuro[2,3-h]quinolin-2(1H)-one (CAS 828277-21-0)
- 4-(2-Fluoro-phenyl)-5-(4-methoxy-phenyl)-4H-[1,2,4]triazole-3-thiol (CAS 722466-36-6)
- 4-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]butanoic acid (CAS 405279-58-5)
- (1S)-Dicyclohexyl(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)phosphine (CAS 1356823-31-8)
- 5-(prop-2-yn-1-yl)imidazolidine-2,4-dione (CAS 515130-59-3)
- (2E)-3-(4-Fluorophenyl)-1-(2-methylphenyl)prop-2-en-1-one (CAS 1663469-46-2)
- Pazopanib Impurity 45(Mixture of Isomers) (CAS CATO-C4X-172545)
- (S)-2,2,2-trifluoro-1-(4-(trifluoromethoxy)phenyl)ethan-1-amine (CAS 1213496-87-7)
- 3-{3a-methyl-1,5-dioxo-1h,2h,3h,3ah,4h,5h-pyrrolo[1,2-a]quinazolin-4-yl}propanoic acid (CAS 1049605-28-8)
- 1-[(2-methoxy-5-methylphenyl)methyl]piperazine (CAS 523980-67-8)
- 2,3-Dibromo-4-((2-chlorobenzyl)oxy)-5-ethoxybenzaldehyde (CAS 832674-51-8)
- 2-azabicyclo[3.1.1]heptane (CAS 24875-04-5)
- Semaglutide impurity 27 (CAS CATO-C4X-222627)
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