2,6-Difluorobenzoylacetonitrile CAS 40017-76-3
| CAS No. | 40017-76-3 |
| Molecular Formula | C9H5F2NO |
| Molecular Weight | 181.14 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 2,6-Difluorobenzoylacetonitrile.
2,6-Difluorobenzoylacetonitrile (CAS 40017-76-3) is a high-purity analytical reference standard with the molecular formula C9H5F2NO and a molecular weight of 181.14 g/mol.
Structurally, 2,6-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. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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.
As a certified reference material (CRM), 2,6-Difluorobenzoylacetonitrile meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
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.) | 1968 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Difluorobenzoylacetonitrile Standards
Recommended Standards
- 3-(2,4-Difluorophenyl)-3-oxopropanenitrile (CAS 71682-95-6)
- 3-(3,5-Difluorophenyl)-3-oxopropanenitrile (CAS 842140-51-6)
- 2-(Trifluoromethyl)thiazole-5-carbaldehyde (CAS 903130-38-1)
- (E)-1,2-Difluoro-4-(2-isocyanatovinyl)benzene (CAS 936366-62-0)
- (1S,2S)-cyclopentane-1,2-diol (CAS 63261-45-0)
- (E)-2-benzylidene-N-phenylhydrazine-1-carboxamide (CAS 1006894-80-9)
- 2,5-Dimethoxybenzylamine (CAS 3275-95-4)
- 2-Amino-4-benzylthiazole (CAS 7496-56-2)
- 4-Amino-6-nitrobenzene-1,3-diol (CAS 860757-57-9)
- (R)-4-benzyl-2-(6-phenylpyridin-2-yl)-4,5-dihydrooxazole (CAS 2757082-55-4)
- 3-{5-[(4-chlorophenyl)sulfanyl]-4-(4-methoxyphenyl)-1,3-thiazol-2-yl}pyridine (CAS 685107-02-2)
- 5-Hydroxynicotinaldehyde (CAS 1060804-48-9)
- (4-Fluorophenyl)acetic acid hydrazide (CAS 34547-28-9)
- Semaglutide Impurity 186 (CAS CATO-C4X-2226186)
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