Methyl 4-(4-bromoisoquinoline-1-carbonyl)benzoate CAS 1374249-66-7
| CAS No. | 1374249-66-7 |
| Molecular Formula | C18H12BrNO3 |
| Molecular Weight | 370.20 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Owing to a steroid core, an amide group, a hydroxyl group, an ether linkage, bromine substitution, Methyl 4-(4-bromoisoquinoline-1-carbonyl)benzoate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 370.20 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.
Methyl 4-(4-bromoisoquinoline-1-carbonyl)benzoate (CAS 1374249-66-7) is a high-purity analytical reference standard with the molecular formula C18H12BrNO3 and a molecular weight of 370.20 g/mol.
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.
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 | C18H12BrNO3 |
| Molecular Weight | 370.20 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 sealed and dry |
| 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
Related Methyl Standards
- 4-Bromoisoquinoline-5-sulfonylchloride (CAS 127625-94-9)
- 5-Bromoisoquinoline-8-sulfonyl chloride (CAS 937632-19-4)
- 7-Bromoisoquinoline-5-sulfonyl chloride (CAS 787575-93-3)
- 5-Bromoisoquinoline-8-sulfonic acid (CAS 862777-69-3)
- 4-bromoisoquinoline-5-sulfonamide (CAS 127625-93-8)
- Ethyl 6-Bromoisoquinoline-1-carboxylate (CAS 1020576-70-8)
- Ethyl 1-bromoisoquinoline-3-carboxylate (CAS 1079947-40-2)
- Methyl 5-Bromoisoquinoline-1-acetate (CAS 1612222-98-6)
Recommended Standards
- N-(5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl)-3-phenylacrylamide (CAS 131548-11-3)
- (2Z,3E)-6'-Bromo-3-(hydroxyimino)-1'-methyl-[2,3'-biindolinylidene]-2'-one (CAS 667463-95-8)
- 2-(1-(4-Bromophenyl)-3-oxocyclobutyl)isoindoline-1,3-dione (CAS 1199556-87-0)
- N-[6-(4-Bromophenyl)-2-oxo-2H-pyran-3-yl]benzamide (CAS 478043-21-9)
- Ethyl 2-(2,3-difluorophenoxy)acetate (CAS 1344050-65-2)
- Pazopanib Impurity 32 (CAS 35122-82-8)
- (4-Bromo-5-chloro-6-(difluoromethyl)pyridin-3-yl)methanol (CAS 1805395-09-8)
- Afoxolaner Impurity 21 (CAS 1124305-96-9)
- (2R)-2-methylbutanoic acid (CAS 32231-50-8)
- 2,6-Difluoro-4-iodopyridine (CAS 685517-71-9)
- 4-(1-Imidazolyl)benzoic Acid (CAS 17616-04-5)
- 2-(Thiophen-3-ylthio)acetic acid (CAS 6267-14-7)
- JX-401 (CAS 349087-34-9)
- Semaglutide Impurity 165 (CAS CATO-C4X-2226165)
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