5-Chloropyrimidine-2,4,6-tricarbonitrile CAS 139444-93-2
| CAS No. | 139444-93-2 |
| Molecular Formula | C7ClN5 |
| Molecular Weight | 189.56 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C7ClN5, 5-Chloropyrimidine-2,4,6-tricarbonitrile contains a nitrile group, chlorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 189.56 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.
5-Chloropyrimidine-2,4,6-tricarbonitrile (CAS 139444-93-2), molecular formula C7ClN5 and molecular weight 189.56 g/mol, is a CATO reference standard with documented purity and traceability.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C7ClN5 |
| Molecular Weight | 189.56 g/mol |
| Appearance | Pale yellow to 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1996 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 5 |
Related Chloropyrimidine Standards
- 5-Acetyl-6-chloropyrimidine-2,4(1H,3H)-dione (CAS 74094-82-9)
- Ethyl 2-chloropyrimidine-4-carboxylate (CAS 1196152-00-7)
- Ethyl 5-Chloropyrimidine-2-carboxylate (CAS 1227571-82-5)
- Ethyl 4-Chloropyrimidine-2-carboxylate (CAS 944906-70-1)
- Ethyl 5-chloropyrimidine-4-carboxylate (CAS 64224-64-2)
- Ethyl 6-Chloropyrimidine-4-carboxylate (CAS 51940-63-7)
- 2-Chloropyrimidine-5-sulfonamide (CAS 1155080-09-3)
- 5-chloropyrimidine-2-sulfonamide (CAS 873398-77-7)
Recommended Standards
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- 1-Methyl-5-nitro-1h-pyrazole-3-carbonyl chloride (CAS 1429418-77-8)
- 4-Chloro-2-methoxy-5-nitropyrimidine (CAS 1375065-27-2)
- 3-Amino-6-chloro-5-hydroxypyrazine-2-carboxylic acid (CAS 14317-42-1)
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