4,4,4-Trifluoro-3-oxobutanenitrile CAS 110234-68-9
| CAS No. | 110234-68-9 |
| Molecular Formula | C4H2F3NO |
| Molecular Weight | 137.06 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 137.06 g/mol gives 4,4,4-Trifluoro-3-oxobutanenitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
4,4,4-Trifluoro-3-oxobutanenitrile (CAS 110234-68-9), molecular formula C4H2F3NO and molecular weight 137.06 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C4H2F3NO, 4,4,4-Trifluoro-3-oxobutanenitrile contains an amide group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 137.06 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.
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), 4,4,4-Trifluoro-3-oxobutanenitrile 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 | C4H2F3NO |
| Molecular Weight | 137.06 g/mol |
| 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) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Trifluoro Standards
- 2, 4, 6- Trifluoro-s-triazine (CAS 675-14-9)
- 1,1,1-trifluoro-3-isocyanatopropane (CAS 406-97-3)
- 3,3,3-Trifluoro-2-hydroxy-2-methylpropanenitrile (CAS 335-08-0)
- 4,4,4-trifluoro-3-hydroxybutanenitrile (CAS 57165-85-2)
- (2E)-4,4,4-Trifluoro-2-butenoic acid (CAS 406-94-0)
- 4,4,4-Trifluoro-3-oxobutanal (CAS 70817-53-7)
- 1,1,1-Trifluoro-3-methylbutan-2-one (CAS 382-03-6)
- 2,2,2-Trifluoro-N,N-dimethylacetimidamide (CAS 684-09-3)
Recommended Standards
- Bortezomib Impurity 44 (CAS 78-77-3)
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- 4-amino-1,1,1-trifluorobut-3-yn-2-one (CAS 120417-45-0)
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- 1-(3,4-dimethoxyphenyl)hexahydropyrimidine-2,4-dione (CAS 195373-93-4)
- (R)-2-(2-Methoxybenzyl)piperazine (CAS 1240582-36-8)
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- N-(2-Methyl-1,3-dioxoisoindolin-4-yl)acetamide (CAS 2307-02-0)
- 2-(1,3-Dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanoic acid (CAS 32392-58-8)
- 3-Bromo-4-hydroxy-5-nitrobenzaldehyde (CAS 98555-49-8)
- 8-Chloro-1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one (CAS 27038-63-7)
- (S)-2-Amino-2-(4-hydroxycyclohexyl)acetic acid (CAS 773038-42-9)
- Semaglutide impurity 250 (CAS CATO-C4X-2226250)
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