3,3-difluorocyclohexane-1-carboxylic acid CAS 849669-20-1
| CAS No. | 849669-20-1 |
| Molecular Formula | C7H10F2O2 |
| Molecular Weight | 164.15 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3,3-difluorocyclohexane-1-carboxylic acid (CAS 849669-20-1), molecular formula C7H10F2O2 and molecular weight 164.15 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C7H10F2O2, 3,3-difluorocyclohexane-1-carboxylic acid contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic functional-group stretching vibrations in infrared spectroscopy. The molecular weight of 164.15 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 | C7H10F2O2 |
| Molecular Weight | 164.15 g/mol |
| 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 | Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 2.0 |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
Related difluorocyclohexane Standards
- 2,2-Difluorocyclohexane-1-carboxylic acid (CAS 1461714-25-9)
- 3,4-Difluorocyclohexane-1-carboxylic acid (CAS 1935173-25-3)
- (1R)-3,3-difluorocyclohexane-1-carboxylic acid (CAS 2231665-95-3)
- (S)-3,3-difluorocyclohexane-1-carboxylic acid (CAS 2199500-65-5)
- 4,4-Difluorocyclohexane-1-thiol (CAS 1543102-18-6)
- Methyl 3,3-difluorocyclohexane-1-carboxylate (CAS 1557398-67-0)
- 3,3-Difluorocyclohexane-1-carbaldehyde (CAS 1374657-55-2)
- 2,2-Difluorocyclohexane-1,3-dione (CAS 183742-84-9)
Recommended Standards
- 3,3-Difluoro-4-Isopropyldihydro-2(3H)-Furanone (CAS 220432-35-9)
- 3,4,5-Trifluorothiophenol (CAS 443683-18-9)
- 3,3-Bis(fluoromethyl)cyclobutane-1-carboxylic acid (CAS 2231675-46-8)
- 3-amino-3-(difluoromethyl)piperidin-2-one (CAS 70470-98-3)
- 2-Bromo-5-((tert-butoxycarbonyl)amino)thiazole-4-carboxylic acid (CAS 1312697-86-1)
- 1-Bromo-4-chloro-2-(trifluoromethyl)benzene (CAS 344-65-0)
- 2-Chloro-5-((2-(trimethylsilyl)ethoxy)methyl)-5H-pyrrolo[3,2-d]pyrimidine (CAS 1445856-64-3)
- 4,4-(Chloromethylene)bis(chlorobenzene) (CAS 782-08-1)
- N-Boc-N-methoxy-N-methyl-L-phenylalaninamide (CAS 87694-53-9)
- 1-(1-(2,2,2-Trifluoroethyl)-1H-pyrazol-4-yl)ethan-1-amine (CAS 1342713-23-8)
- Furan-2-yl(2-isopropylphenyl)methanol (CAS 60908-08-9)
- N-[3-(2-Phenoxyethoxy)benzyl]-1-ethanamine (CAS 1040686-33-6)
- 3-Ethynylbenzene-1,2-diol (CAS 1314907-42-0)
- Glucagon receptor antagonists-2 (CAS 202917-18-8)
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