N-(3-(Difluoromethoxy)phenyl)isonicotinamide hydrochloride CAS 54231-56-0
| CAS No. | 54231-56-0 |
| Molecular Formula | C13H11F2N2O2 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
N-(3-(Difluoromethoxy)phenyl)isonicotinamide hydrochloride (CAS 54231-56-0), molecular formula C13H11F2N2O2Cl and molecular weight 300.69 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, N-(3-(Difluoromethoxy)phenyl)isonicotinamide hydrochloride (C13H11F2N2O2Cl) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 300.69 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.
As a certified reference material (CRM), N-(3-(Difluoromethoxy)phenyl)isonicotinamide hydrochloride 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 | C13H11F2N2O2 Cl |
| Molecular Weight | 300.69 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1972 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
Related N Standards
- 2-(2-(Difluoromethoxy)phenyl)ethan-1-ol (CAS 1000533-82-3)
- 4-(Difluoromethoxy)-2-iodoaniline (CAS 1000801-26-2)
- 3-(4-(Difluoromethoxy)phenyl)propanoic acid (CAS 1000932-18-2)
- 4-(Difluoromethoxy)-2-fluoroaniline (CAS 1003865-65-3)
- (4-(Difluoromethoxy)-2-fluorophenyl)boronic acid (CAS 1004775-34-1)
- 4,6-Bis(difluoromethoxy)-2-(methylthio)pyrimidine (CAS 100478-25-9)
- 1-(3-(Difluoromethoxy)phenyl)-3-(1,5-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-one (CAS 1005647-45-9)
- Methyl 6-(4-(difluoromethoxy)phenyl)-3-methylisoxazolo[5,4-b]pyridine-4-carboxylate (CAS 1011396-51-2)
Recommended Standards
- 3-Methyl-5-oxoimidazolidine-4-carboxamide (CAS 349103-99-7)
- tert-Butyl 2-amino-2-cyanoacetate (CAS 68970-51-4)
- N-(3-chloro-4-fluorophenyl)-N-(phenylsulfonyl)glycine (CAS 838876-58-7)
- Sodium carboxymethylstearylhydroxy-ethyl imidazolinium hydro (CAS 68608-63-9)
- (1-Benzylpyrrolidin-2-yl)methanamine (CAS 57734-44-8)
- 4-methyl-4-phenylpiperidine-2,6-dione (CAS 14149-32-7)
- Cholecalciferol impurity 18 (CAS 2227309-94-4)
- 4-Methoxy-2'-methyl-[1,1'-biphenyl]-2-carboxylic acid (CAS 1183657-07-9)
- Methyl 4-(4-chlorophenyl)-1-methylpyrrolidine-3-carboxylate (CAS 1706459-58-6)
- Semaglutide impurity 286 (CAS CATO-C4X-2226286)
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