Methyl 2-chloro-3-cyano-6-fluorobenzoate CAS 1807006-74-1
| CAS No. | 1807006-74-1 |
| Molecular Formula | C9H5ClFNO2 |
| Molecular Weight | 213.59 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 213.59 g/mol gives Methyl 2-chloro-3-cyano-6-fluorobenzoate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Methyl 2-chloro-3-cyano-6-fluorobenzoate (CAS 1807006-74-1) is a high-purity analytical reference standard with the molecular formula C9H5ClFNO2 and a molecular weight of 213.59 g/mol.
Based on its molecular formula C9H5ClFNO2, Methyl 2-chloro-3-cyano-6-fluorobenzoate contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 213.59 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures Methyl 2-chloro-3-cyano-6-fluorobenzoate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C9H5ClFNO2 |
| Molecular Weight | 213.59 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 tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; 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.) | 1995 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
- Methyl 3-chloro-2-cyano-5-fluorobenzoate (CAS 1805561-21-0)
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- 4-Chloro-2-methyl-5-nitrophenol (CAS 19044-75-8)
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- Betamethasone impurity 56 (CAS 1202002-00-3)
- Methyl 5-Phenylisoxazole-3-carboxylate (CAS 51677-09-9)
- (2-(Pyrimidin-5-yl)pyridin-4-yl)boronic acid (CAS 2225155-89-3)
- Atracurium Impurity 32 (CAS CATO-C4X-185032)
- N-(3-amino-2-methylphenyl)benzenesulfonamide (CAS 926270-54-4)
- Semaglutide impurity 193 (CAS CATO-C4X-2226193)
Why CATO?
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