4-(Difluoromethoxy)-3-iodobenzoic acid CAS 1131588-14-1
| CAS No. | 1131588-14-1 |
| Molecular Formula | C8H5F2IO3 |
| Molecular Weight | 314.02 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
CATO supplies 4-(Difluoromethoxy)-3-iodobenzoic acid (CAS 1131588-14-1), a certified reference material (molecular formula C8H5F2IO3, MW 314.02 g/mol) for analytical method development and quality control.
Structurally, 4-(Difluoromethoxy)-3-iodobenzoic acid (C8H5F2IO3) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/iodine 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 314.02 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
Physical & Chemical Properties
| Molecular Formula | C8H5F2IO3 |
| Molecular Weight | 314.02 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening; 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/I-containing |
Related Difluoromethoxy Standards
- 3-(Difluoromethoxy)-4-iodobenzoic acid (CAS 1695687-68-3)
- 3-(Difluoromethoxy)-2-iodobenzoic acid (CAS 2383082-26-4)
- 2-(Difluoromethoxy)-3,4,5,6-tetrafluorobenzenesulfonyl chloride (CAS 2773501-57-6)
- 2-(Difluoromethoxy)-4-iodonitrobenzene (CAS 1261440-42-9)
- 4-(Difluoromethoxy)-1-iodo-2-nitrobenzene (CAS 1261453-57-9)
- 2-(Difluoromethoxy)-3-iodonitrobenzene (CAS 1261499-84-6)
- 2-(Difluoromethoxy)-5-iodonitrobenzene (CAS 1261584-39-7)
- 1-(Difluoromethoxy)-2-iodo-4-nitrobenzene (CAS 1261776-70-8)
Recommended Standards
- 6286-30-2 Benzenepropanoic acid, alpha,beta-dibromo- (9CI) 2,3-Dibromo-3-phenylpropionic acid Hydrocinnamic acid, alpha,beta-dibromo- 2-09-00-00344 (Beilstein Handbook Reference) AI3-18459 BRN 2050283 alpha,beta-Dibromobenzenepropanoic acid alpha,beta-Dibromohydrocinnamic acid 2,3-Dibromo-3-phenylpropanoic acid EINECS 228-516-3 NSC 10049 Propionic acid, 2,3-dibromo-3-phenyl- (CAS 6286-30-2)
- methyl 3-bromo-4-(bromomethyl)benzoate (CAS 78946-25-5)
- 1-(1,2-Dibromoethyl)naphthalene (CAS 31838-47-8)
- 5-Bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carbonitrile (CAS 916454-56-3)
- (S)-Methyl 5,5-dimethylpyrrolidine-2-carboxylate hydrochloride (CAS 565232-62-4)
- 2-(2,3-Dihydrobenzo[b][1,4]dioxin-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 1116104-19-8)
- 3,5-Dimethyl-1H-pyrazole-1-carboximidamide hydrochloride (CAS 40027-64-3)
- 1-([1,1’-Biphenyl]-4-yl)ethanamine (CAS 86217-82-5)
- 3-Phenyl-1-(3-(3-(thiophen-3-yl)-1,2,4-oxadiazol-5-yl)azetidin-1-yl)propan-1-one (CAS 1396806-20-4)
- Ethyl 2-((2-methoxyphenyl)amino)thiazole-4-carboxylate (CAS 165682-73-5)
- 4-Isopropylphenylhydrazine HCl (CAS 118427-29-5)
- 1-(2-((2-Methylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-phenylethan-1-one (CAS 851801-31-5)
- Ethyl (1R,3S,4R)-4-{[(tert-butoxy)carbonyl]amino}-3-hydroxycyclohexane-1-carboxylate (CAS 1392745-15-1)
- Semaglutide Impurity 14(Discontinued,See CPTD788307 ) (CAS CATO-C4X-222614)
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