1,3-Difluoro-2-(3-fluoro-2-iodophenoxy)-5-(trifluoromethyl)benzene CAS 2244087-68-9
| CAS No. | 2244087-68-9 |
| Molecular Formula | C13H5F6IO |
| Molecular Weight | 418.07 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 1,3-Difluoro-2-(3-fluoro-2-iodophenoxy)-5-(trifluoromethyl)benzene.
1,3-Difluoro-2-(3-fluoro-2-iodophenoxy)-5-(trifluoromethyl)benzene (CAS 2244087-68-9) is a high-purity analytical reference standard with the molecular formula C13H5F6IO and a molecular weight of 418.07 g/mol.
Based on its molecular formula C13H5F6IO, 1,3-Difluoro-2-(3-fluoro-2-iodophenoxy)-5-(trifluoromethyl)benzene contains a hydroxyl group, an ether linkage, fluorine/iodine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 418.07 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.
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 | C13H5F6IO |
| Molecular Weight | 418.07 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1998 |
| Halogen Content | F/I-containing |
Related Difluoro Standards
- 1,3-Difluoro-2-(5-fluoro-2-iodophenoxy)-5-(trifluoromethyl)benzene (CAS 2244087-01-0)
- 5,7-Difluoro-3-iodo-1-(phenylsulfonyl)-1H-indole (CAS 500139-01-5)
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- (19E)-4,17-difluoro-1,5,8,13,15,22,27-heptaazatetracyclo[20.2.2.1¹⁰,¹⁴.0²,⁷]heptacosa-2,4,6,10,12,14,19-heptaen-9-one (CAS 2227259-30-3)
- 2,2-Difluoro-N-(4-(trifluoromethoxy)phenyl)-2-(3-(trifluoromethyl)phenoxy)acetamide (CAS 338792-04-4)
- 2-(2,6-Difluoro-4-(trifluoromethyl)phenoxy)-4-iodoaniline (CAS 2244083-64-3)
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- 2-({1-[(2,2-difluoro-2H-1,3-benzodioxol-5-yl)methyl]-2-oxo-1,2-dihydropyridin-3-yl}formamido)-2,3-dimethylbutanamide (CAS 956181-54-7)
Recommended Standards
- 5,5'-Diiodo-2,2'-bithiophene (CAS 3339-80-8)
- 3,3'-Diiodo-2,2'-bithiophene (CAS 90348-22-4)
- N'-[(1E)-(5-Bromo-2-hydroxy-3-methoxyphenyl)methylidene]-2,4-dichlorobenzohydrazide (CAS 477848-20-7)
- 2-Fluoro-4-iodo-6-(pyrrolidin-1-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CAS 1309980-57-1)
- N-((11bR)-2,6-Bis(4-nitrophenyl)-4-oxidodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,1,1-trifluoromethanesulfonamide (CAS 1010799-99-1)
- (2S)-2-amino-2-tetrahydropyran-4-yl-acetic acid;hydrochloride (CAS 1315028-11-5)
- 6-Phenyl-4-(thiophen-2-yl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile (CAS 131841-89-9)
- (Z)-4-((Ethylthio)methylene)-3-phenylisoxazol-5(4H)-one (CAS 61861-76-5)
- 4-(Trifluoromethoxy)isoquinoline (CAS 1261753-65-4)
- 4-Methoxymethylcyclohexylmethanol (CAS 98955-27-2)
- 8-Azaspiro[4.5]Dec-2-en-1-one hydrochloride (CAS 2055840-13-4)
- 5-((4-Bromo-2-chlorophenoxy)methyl)furan-2-carbohydrazide (CAS 832738-18-8)
- 1-(2,2-Dimethylthiomorpholino)butan-2-amine (CAS 1602304-65-3)
- Semaglutide impurity 276 (CAS CATO-C4X-2226276)
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