4,5-Difluorophthalonitrile CAS 134450-56-9
| CAS No. | 134450-56-9 |
| Molecular Formula | C8H2F2N2 |
| Molecular Weight | 164.11 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
4,5-Difluorophthalonitrile (CAS 134450-56-9), molecular formula C8H2F2N2 and molecular weight 164.11 g/mol, is a CATO reference standard with documented purity and traceability.
4,5-Difluorophthalonitrile (C8H2F2N2) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine substitution. Halogen substitution raises its density and boiling point; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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.) | 1995 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Recommended Standards
- 2,5-Difluoroisophthalonitrile (CAS 122546-74-1)
- 2-Oxobenzo[d][1,3]dioxole-5-carbaldehyde (CAS 13605-46-4)
- Methyl trifluoromethanesulfonate (CAS 333-27-7)
- 6-Hydroxybenzofuran-2,3-dione (CAS 1443543-56-3)
- 5,7-Dibromo-1H-pyrazolo[4,3-b]pyridine (CAS 1956379-02-4)
- 1-(Chloromethoxy)-4-fluorobenzene (CAS 34888-02-3)
- N-(5-(2-Chlorophenyl)-1,3,4-oxadiazol-2-yl)-3-morpholinopropanamide (CAS 89757-67-5)
- 3-(4-Chloro-3-nitrophenyl)-1,3-oxazolidin-2-one (CAS 104679-38-1)
- Octahydropyrrolo[1,2-a]pyrazine-1-carboxylic acid dihydrochloride (CAS 1803566-98-4)
- 2-Phosphonobutane-1,2,4-tricarboxylic acid sodiumsalt (CAS 66669-53-2)
- Fmoc-(S)-3-Amino-3-(3-thienyl)-propionic acid (CAS 507472-09-5)
- 5-(Aminomethyl)-2-cyclopropoxybenzoic acid (CAS 1243329-40-9)
- 2,3,7,8-Tetrathiaspiro[4.4]nonane (CAS 176-02-3)
- [Ser39-OH] Tirzepatide (CAS CATO-C4X-324041)
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