Methyl 2,4-difluoro-5-methylbenzoate CAS 1162674-66-9
| CAS No. | 1162674-66-9 |
| Molecular Formula | C9H8F2O2 |
| Molecular Weight | 186.16 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, Methyl 2,4-difluoro-5-methylbenzoate (C9H8F2O2) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 186.16 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Methyl 2,4-difluoro-5-methylbenzoate (CAS 1162674-66-9), molecular formula C9H8F2O2 and molecular weight 186.16 g/mol, is a CATO reference standard with documented purity and traceability.
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 | C9H8F2O2 |
| Molecular Weight | 186.16 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | F-containing |
Related Methyl Standards
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- 1-(2,5-Difluoro-4-methoxyphenyl)ethanone (CAS 1010800-85-7)
- 2,2-Difluoro-2-(m-tolyl)acetic acid (CAS 1038247-17-4)
- 2,2-Difluoro-1-(4-methoxyphenyl)ethanone (CAS 114829-07-1)
- 1-(2,6-Difluoro-3-methoxyphenyl)ethan-1-one (CAS 1206593-23-8)
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- 1-(3,5-Difluoro-2-hydroxyphenyl)propan-1-one (CAS 1247463-03-1)
Recommended Standards
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- 2-(2,2-Difluoroethoxy)benzaldehyde (CAS 1184202-70-7)
- Methyl 5-phenethylpicolinate (CAS 32967-08-1)
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- Trimetazidine-D8 Dihydrochloride (CAS 1219795-37-5)
- Ethyl 3-(3-bromophenyl)-1H-pyrazole-5-carboxylate, 97% (CAS 948292-48-6)
- 5-(4-Bromophenyl)-1-ethyl-1H-imidazol-2-amine (CAS 918801-66-8)
- 3-(Aminomethyl)-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-one (CAS 771581-72-7)
- 2-Adamantanamine Hydrochloride (CAS 10523-68-9)
- 1-(2-Phenoxyethyl)-1,3-dihydro-2H-benzo[d]imidazol-2-imine (CAS 325822-93-3)
- 4-(Cyclohexylthio)butan-1-ol (CAS 1962-46-5)
- Fragment-[9-31]-Semaglutide (CAS CATO-C4X-2226181)
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