3,4-Difluorobenzoylacetonitrile CAS 71682-97-8
| CAS No. | 71682-97-8 |
| Molecular Formula | C9H5F2NO |
| Molecular Weight | 181.14 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
3,4-Difluorobenzoylacetonitrile (CAS 71682-97-8) is a high-purity analytical reference standard with the molecular formula C9H5F2NO and a molecular weight of 181.14 g/mol.
Structurally, 3,4-Difluorobenzoylacetonitrile (C9H5F2NO) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 181.14 g/mol, it falls into the medium-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
CATO manufactures 3,4-Difluorobenzoylacetonitrile 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 | C9H5F2NO |
| Molecular Weight | 181.14 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 |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1977 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Difluorobenzoylacetonitrile Standards
Recommended Standards
- 3-(3,5-Difluorophenyl)-3-oxopropanenitrile (CAS 842140-51-6)
- 3,5-Difluoro-4-phenyl-4H-1,2,4-triazole (CAS 955050-68-7)
- 3-(2,4-Difluorophenyl)-3-oxopropanenitrile (CAS 71682-95-6)
- 4-(Trifluoromethyl)thiazole-2-carbaldehyde (CAS 354587-75-0)
- 72088-94-9 3',6'-Dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthene)-ar-carboxylic acid Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-ar-carboxylic acid, 3',6'-dihydroxy-3-oxo- EINECS 276-331-1 (CAS 72088-94-9)
- 3-(3,5-Dimethyl-1H-pyrazol-1-yl)propanal (CAS 947404-89-9)
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- 4-NITRO-2,3,5-TRIMETHYLPHENOL (CAS 92892-04-1)
- 2-Fluoro-3-nitrobenzenesulfonamide (CAS 1804044-62-9)
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