3-(6-Chloropyrimidin-4-yl)benzoic acid 579476-50-9 5978AE C11H7ClN2O2 CAS 579476-50-9
| CAS No. | 579476-50-9 |
| Molecular Formula | C11H7ClN2O2 |
| Molecular Weight | 234.64 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.
3-(6-Chloropyrimidin-4-yl)benzoic acid 579476-50-9 5978AE C11H7ClN2O2 (CAS 579476-50-9) is a high-purity analytical reference standard with the molecular formula C11H7ClN2O2 and a molecular weight of 234.64 g/mol.
Based on its molecular formula C11H7ClN2O2, 3-(6-Chloropyrimidin-4-yl)benzoic acid 579476-50-9 5978AE C11H7ClN2O2 contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 234.64 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C11H7ClN2O2 |
| Molecular Weight | 234.64 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, 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; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
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Recommended Standards
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- Bosutinib Impurity N5 (CAS 263149-10-6)
- 5-Chloroquinoline-7-carbonitrile (CAS 1256463-65-6)
- (6-(4-Methoxyphenoxy)pyridin-3-yl)boronic acid (CAS 1313761-02-2)
- 1-(6-(Trifluoromethyl)pyridin-2-yl)ethan-1-one (CAS 944904-58-9)
- ELTROMBOPAG (CAS 1807882-48-9)
- 6-Oxa-3-azabicyclo[3.2.1]octan-8-one hydrochloride (CAS 1408075-04-6)
- (R)-Vitamin D2 (CAS 116559-84-3)
- 5-Methyl-3-(4-phenylpiperazine-1-carbonyl)-5H,5aH,6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-12-one (CAS 1775360-23-0)
- 5-Fluoro-2-(((3R,6R)-6-methylpiperidin-3-yl)methoxy)pyridine (CAS 1088993-93-4)
- 3-Morpholinobicyclo[1.1.1]Pentan-1-amine dihydrochloride (CAS 2514758-67-7)
- Tirzepatide Impurity 47 (CAS CATO-C4X-324047)
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