2-(5-Fluoro-6-oxopyrimidin-1(6H)-yl)acetonitrile CAS 218921-37-0
| CAS No. | 218921-37-0 |
| Molecular Formula | C6H4FN3O |
| Molecular Weight | 153.11 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-(5-Fluoro-6-oxopyrimidin-1(6H)-yl)acetonitrile is closely related to an amide group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2-(5-Fluoro-6-oxopyrimidin-1(6H)-yl)acetonitrile (CAS 218921-37-0), molecular formula C6H4FN3O and molecular weight 153.11 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 2-(5-Fluoro-6-oxopyrimidin-1(6H)-yl)acetonitrile (C6H4FN3O) is characterized by an amide group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures 2-(5-Fluoro-6-oxopyrimidin-1(6H)-yl)acetonitrile 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 | C6H4FN3O |
| Molecular Weight | 153.11 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor) |
| 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2019 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
Related Fluoro Standards
- 2-Fluoro-3-(furan-2-yl)-3-oxopropanenitrile (CAS 1263063-16-6)
- 4-Fluoro-1H-benzo[d][1,2,3]triazol-7-ol (CAS 134023-61-3)
- 6-Fluoro-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one (CAS 1364719-75-4)
- 6-Fluoro-3-methoxypyrazine-2-carbonitrile (CAS 356783-45-4)
- 7-Fluoro-1,2-benzisoxazol-3(2H)-one (CAS 855996-66-6)
- 8-Fluoro[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (CAS 2096986-18-2)
- 8-Fluoro-9H-purin-6-amine (CAS 28128-27-0)
- 2-Fluoro-3-methylbenzamide (CAS 1003712-12-6)
Recommended Standards
- 3-Fluoropyrazolo[1,5-a]pyrimidin-6-ol (CAS 1823336-81-7)
- 3-Fluorofuro[3,4-b]pyridin-5(7H)-one (CAS 868636-59-3)
- 7-Fluorobenzo[c]isoxazol-3(1H)-one (CAS 1781130-52-6)
- 4-Fluorobenzo[c]isoxazol-3(1H)-one (CAS 344779-33-5)
- Racemic-(3aR,6R,7aR)-4-(tert-butoxycarbonyl)octahydrofuro[3,2-b]pyridine-6-carboxylic acid (CAS 1314388-60-7)
- 6-Fluoro-2-(3-fluorophenyl)-4H-chromen-4-one (CAS 213894-70-3)
- tert-Butyl 6-cyclopropyl-3-iodo-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxylate (CAS 2447582-30-9)
- 4-[4-(benzyloxy)phenyl]-4-oxobutanoic acid (CAS 6686-25-5)
- n-Ethyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propanamide (CAS 1025754-63-5)
- (3R,4R)-3-Amino-1-hydroxy-4-(hydroxymethyl)pyrrolidin-2-one (CAS 142229-15-0)
- 2-P-terphenylboronic acid (CAS 663954-31-2)
- 1,1,1,3,5,5,5-Heptamethyl-3-octadecyltrisiloxane (CAS 167160-55-6)
- methyl rel-(1R,2S,5S)-3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride (CAS 927679-50-3)
- Semaglutide impurity 34 (CAS CATO-C4X-222634)
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