5-(Difluoromethoxy)-1H-indole-3-carboxylic acid CAS 1135935-39-5
| CAS No. | 1135935-39-5 |
| Molecular Formula | C10H7F2NO3 |
| Molecular Weight | 227.16 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 5-(Difluoromethoxy)-1H-indole-3-carboxylic acid (C10H7F2NO3) 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 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 227.16 g/mol, it falls into the medium-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
5-(Difluoromethoxy)-1H-indole-3-carboxylic acid (CAS 1135935-39-5), molecular formula C10H7F2NO3 and molecular weight 227.16 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 | C10H7F2NO3 |
| Molecular Weight | 227.16 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Difluoromethoxy Standards
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- 1-(5-(Difluoromethoxy)benzo[d]oxazol-2-yl)ethanone (CAS 1806429-69-5)
- 1-(4-(Difluoromethoxy)benzo[d]oxazol-2-yl)ethanone (CAS 1806573-06-7)
- 4-(Difluoromethoxy)-1h-indole-2-carboxylic acid (CAS 885524-95-8)
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Recommended Standards
- 3-(2,5-Difluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid (CAS 1096348-81-0)
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- Pyridin-3-yl trifluoromethanesulfonate (CAS 107658-27-5)
- 2,2,2-Trifluoroethyl n-(1,3,4-thiadiazol-2-yl)carbamate (CAS 1211199-35-7)
- Ethyl 4-hydroxy-6-(trifluoromethyl)nicotinate (CAS 1269292-28-5)
- 2-Chloro-1-(6-(pyrrolidin-1-ylsulfonyl)-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one (CAS 949226-53-3)
- 2-((2-Cyanoethyl)(methyl)amino)-2-oxoethyl 2-(methylthio)nicotinate (CAS 730986-61-5)
- 2-(Aminomethyl)-6-(difluoromethyl)-3-fluoro-5-hydroxypyridine (CAS 1807133-09-0)
- Ethyl 3-bromo-2-hydroxybenzoate (CAS 314240-86-3)
- 4-Ethynyl-2-methylbenzoic acid (CAS 1378843-72-1)
- 5-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CAS 1352239-77-0)
- 1-azaspiro[4.5]decan-4-ol (CAS 1557017-04-5)
- Methyl 3-amino-3-(4-nitrophenyl)propanoate hydrochloride (CAS 93506-52-6)
- Semaglutide impurity 272 (CAS CATO-C4X-2226272)
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