4,6-Difluoroisophthalonitrile CAS 17654-70-5
| CAS No. | 17654-70-5 |
| Molecular Formula | C8H2F2N2 |
| Molecular Weight | 164.11 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.
4,6-Difluoroisophthalonitrile (CAS 17654-70-5) is a high-purity analytical reference standard with the molecular formula C8H2F2N2 and a molecular weight of 164.11 g/mol.
Owing to a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine substitution, 4,6-Difluoroisophthalonitrile is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 164.11 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C8H2F2N2 |
| Molecular Weight | 164.11 g/mol |
| Appearance | Pale yellow to 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 DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1962 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Related Difluoroisophthalonitrile Standards
Recommended Standards
- 2,2-Bis-(hydroxymethyl) malonic acid (CAS 173783-71-6)
- 3-cyclopropyl-2,2-difluoro-3-oxopropanoic acid (CAS 1803591-19-6)
- 4-(Difluoromethyl)dihydro-2H-pyran-2,6(3H)-dione (CAS 1706461-52-0)
- 3-(difluoromethoxy)-5-methyl-1,2-oxazol-4-amine (CAS 1803596-36-2)
- 1,4-bis(2,2,2-trifluoroethoxy)benzene (CAS 66300-61-6)
- Methyl 4-Methoxy-3-(methylsulfonyl)benzoate (CAS 166811-66-1)
- 2-Chloro-5-methylbenzo[d]thiazole (CAS 3622-31-9)
- 4-(2,3-Dihydro-1h-inden-5-yl)-1,3-thiazol-2-ylamine (CAS 59543-75-8)
- 2-(4-Acetamidophenyl)quinoline-4-carboxylic acid (CAS 298187-85-6)
- tert-Butyl (E)-(4-phenylbut-3-en-2-yl)carbamate (CAS 129389-43-1)
- 6-Methoxy-2-(methylthio)-5-nitropyrimidin-4-amine (CAS 887570-45-8)
- Mephenytoin Impurity 4 (CAS 61837-65-8)
- 3-Bromo-4-methyl-5-nitro (1H)Indazole (CAS 1082040-52-5)
- Tirzepatide Impurity 12 (CAS CATO-C4X-324012)
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