2-(1,1-Difluoroethyl)-1-fluoro-4-methylbenzene CAS 1138445-13-2
| CAS No. | 1138445-13-2 |
| Molecular Formula | C9H9F3 |
| Molecular Weight | 174.16 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-(1,1-Difluoroethyl)-1-fluoro-4-methylbenzene (CAS 1138445-13-2) is a high-purity analytical reference standard with the molecular formula C9H9F3 and a molecular weight of 174.16 g/mol.
The molecular framework of 2-(1,1-Difluoroethyl)-1-fluoro-4-methylbenzene (C9H9F3) is characterized by fluorine substitution, an aromatic ring system. In reversed-phase chromatography, its retention is governed primarily by the polarity and ionization state of its functional groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C9H9F3 |
| Molecular Weight | 174.16 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 |
| Stability | May oxidize slowly on prolonged air exposure |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | F-containing |
Related Difluoroethyl Standards
- 4-(1,1-Difluoroethyl)-2-fluoro-1-methylbenzene (CAS 1138445-12-1)
- 1-(2,2-Difluoroethyl)-3-methyl-1h-pyrazole-4-carbaldehyde (CAS 1006487-14-4)
- 1-(2,2-Difluoroethyl)-5-methyl-1h-pyrazole-4-carbaldehyde (CAS 1170655-68-1)
- 1-(1-(2,2-Difluoroethyl)-1H-pyrazol-4-yl)ethan-1-one (CAS 1341285-03-7)
- 1-(1-(2,2-Difluoroethyl)-1H-pyrazol-3-yl)ethan-1-one (CAS 1855688-22-0)
- 1-(2,2-Difluoroethyl)piperidine-4-carbonitrile (CAS 1343312-26-4)
- 4-(1,1-Difluoroethyl)benzenethiol (CAS 1892499-40-9)
- 3-(1,1-Difluoroethyl)benzenethiol (CAS 1896970-19-6)
Recommended Standards
- 1-(1,1-Difluoropropyl)-2-fluorobenzene (CAS 1138445-47-2)
- Isophthalic acid-carboxy-<SUP>13</SUP>C<SUB>2</SUB> (CAS 112043-90-0)
- 1H-[1,4]Dioxino[2',3':3,4]benzo[1,2-d]imidazole (CAS 114535-43-2)
- 3-(1,2,4-Oxadiazol-3-yl)benzaldehyde (CAS 1119450-74-6)
- N-(4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropanecarboxamide (CAS 882679-35-8)
- 2-Fluoro-6-(isobutylamino)benzonitrile (CAS 1154728-70-7)
- 2-Bromo-4-(3,3-difluoropyrrolidin-1-yl)pyridine (CAS 1779121-43-5)
- 6-Nitrospiro[chroman-2,2'-indole] (CAS 10486-32-5)
- Cefoperazone Impurity 13 (CAS CATO-C4X-114913)
- 7-Methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 95211-71-5)
- (R)-1-(2-fluoro-4-methylphenyl)ethan-1-amine (CAS 1212817-60-1)
- 5-Chloro-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide (CAS 332021-60-0)
- 3-[(1R,3S)-3-amino-2,2-dimethylcyclobutyl]propanoic acid hydrochloride (CAS 1955474-15-3)
- Peptide Impurity 64 (CAS CATO-CPTD788964)
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