Benzyl 3-amino-4-fluorobenzoate CAS 1307516-30-8
| CAS No. | 1307516-30-8 |
| Molecular Formula | C14H12FNO2 |
| Molecular Weight | 245.25 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Benzyl 3-amino-4-fluorobenzoate (CAS 1307516-30-8), molecular formula C14H12FNO2 and molecular weight 245.25 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Benzyl 3-amino-4-fluorobenzoate (C14H12FNO2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 245.25 g/mol, it falls into the medium-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), Benzyl 3-amino-4-fluorobenzoate 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 | C14H12FNO2 |
| Molecular Weight | 245.25 g/mol |
| Appearance | Pale yellow to 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Benzyl Standards
- (2-Amino-6-methoxyphenyl)(2-fluorophenyl)methanone (CAS 1219979-13-1)
- 2-amino-5-methanesulfonyl-4-methoxybenzoic acid (CAS 1258639-90-5)
- 5-Amino-2'-fluoro-4'-methyl-[1,1'-biphenyl]-3-carboxylic acid (CAS 1261902-43-5)
- 5-Amino-3'-fluoro-4'-methyl-[1,1'-biphenyl]-3-carboxylic acid (CAS 1261926-00-4)
- 5-Amino-2'-fluoro-5'-methyl-[1,1'-biphenyl]-3-carboxylic acid (CAS 1261948-61-1)
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Recommended Standards
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- Methyl 3-(4-aminophenyl)-5-fluorobenzoate (CAS 1334499-98-7)
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- 2-(Benzyloxy)-4-bromo-6-nitroaniline (CAS 713530-47-3)
- 5-(1-acetamidoethyl)thiophene-2-sulfonyl chloride (CAS 1016749-39-5)
- 2-Amino-5-(4-bromobenzylidene)thiazol-4(5H)-one (CAS 78659-70-8)
- Linagliptin Impurity 51 (CAS 886588-63-2)
- Decahydroisoquinolin-5-ol (CAS 708964-43-6)
- 5-Methylpyrazine-2-carboxamide (CAS 5521-57-3)
- 1-(5-Ethylthiophen-2-yl)-4,4,4-trifluorobutane-1,3-dione (CAS 438222-02-7)
- 4-(5-Chloro-1H-benzo[d]imidazol-2-yl)aniline (CAS 39861-21-7)
- Tirzepatide Impurity 16 (CAS CATO-C4X-324016)
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