N-Benzyl-6-chloro-5-nitro-2-phenylpyrimidin-4-amine CAS 192631-76-8
| CAS No. | 192631-76-8 |
| Molecular Formula | C17H13ClN4O2 |
| Molecular Weight | 340.76 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
N-Benzyl-6-chloro-5-nitro-2-phenylpyrimidin-4-amine (CAS 192631-76-8), molecular formula C17H13ClN4O2 and molecular weight 340.76 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, N-Benzyl-6-chloro-5-nitro-2-phenylpyrimidin-4-amine (C17H13ClN4O2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 340.76 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C17H13ClN4O2 |
| Molecular Weight | 340.76 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 |
| 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2012 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
Recommended Standards
- 1-(3-Chloro-4-methoxyphenyl)-3-(ethoxycarbonyl)-5-methyl-4,5-dihydro-1h-pyrazole-5-carboxylic acid (CAS 1264050-63-6)
- (E)-{1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethylidene}amino benzoate (CAS 478066-78-3)
- 1-(5-Chloro-2-methoxyphenyl)-3-(ethoxycarbonyl)-5-methyl-4,5-dihydro-1h-pyrazole-5-carboxylic acid (CAS 1264043-40-4)
- 1-(3-Chlorophenyl)-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1H-pyrazole-4-carbaldehyde (CAS 618101-74-9)
- 3-(2-Methoxyethyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid (CAS 892262-22-5)
- 1-Bromo-2-(4-methylphenyl)acetylene (CAS 33491-05-3)
- 1-(Adamantan-1-yl)-2-((5-(methylthio)-1,3,4-thiadiazol-2-yl)thio)ethan-1-one (CAS 792960-91-9)
- 2-(2-Fluoro-4-(trifluoromethoxy)phenyl)acetic acid (CAS 1240256-95-4)
- 3,4-Dichloro-3-methylbenzophenone (CAS 844885-24-1)
- 2-(Azetidin-3-yl)-1H-imidazole (CAS 1234710-01-0)
- Ethyl 2-((5,6-dimethyl-7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetate (CAS 891133-42-9)
- 2,2,2-Trichloro-1-(4-(2,3-dichlorobenzoyl)-1-methyl-1H-pyrrol-2-yl)ethan-1-one (CAS 338753-03-0)
- 5-(3-Methoxyphenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione (CAS 1171522-93-2)
- Tirzepatide Impurity 12 (CAS CATO-C4X-324012)
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