2-(4-(2,4-Dichlorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]Decan-8-yl)pyrimidine-5-carbonitrile CAS 400086-93-3
| CAS No. | 400086-93-3 |
| Molecular Formula | C19H17Cl2N5O2 |
| Molecular Weight | 418.28 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
2-(4-(2,4-Dichlorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]Decan-8-yl)pyrimidine-5-carbonitrile (CAS 400086-93-3), molecular formula C19H17Cl2N5O2 and molecular weight 418.28 g/mol, is a CATO reference standard with documented purity and traceability.
2-(4-(2,4-Dichlorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]Decan-8-yl)pyrimidine-5-carbonitrile (C19H17Cl2N5O2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C19H17Cl2N5O2 |
| Molecular Weight | 418.28 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 5 |
Related Dichlorobenzoyl Standards
- 5-(2,4-Dichlorobenzoyl)-N-(3,4-dichlorophenyl)-1,3-thiazol-2-amine (CAS 339023-15-3)
- 5-(3,4-Dichlorobenzoyl)-N-(3,4-dichlorophenyl)-1,3-thiazol-2-amine (CAS 339023-11-9)
- 4-[5-(3,4-Dichlorobenzoyl)-3-(pyridin-2-yl)thiophen-2-yl]morpholine (CAS 339023-23-3)
- N'-(2,4-Dichlorobenzoyl)-1-ethyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbohydrazide (CAS 302904-34-3)
- 5-(2,4-Dichlorobenzoyl)-7-(trifluoromethyl)-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline (CAS 861206-93-1)
- 3-(2,4-Dichlorobenzoyl)-5-(4-hydroxy-3-methoxybenzylidene)-2-thioxoimidazolidin-4-one (CAS 554423-02-8)
- (E)-4-((5-((((2,4-dichlorobenzoyl)oxy)imino)methyl)pyridin-2-yl)oxy)benzonitrile (CAS 339014-84-5)
- 2-(2,4-Dichlorobenzoyl)-3-phenoxy-5-(trifluoromethyl)pyridine (CAS 306977-33-3)
Recommended Standards
- 1-(2-Bromo-4,5-dimethoxybenzyl)-6,7-dimethoxyisoquinoline (CAS 51449-10-6)
- 2-Bromo-N-(2-(4-fluorophenyl)-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl)benzamide (CAS 450342-89-9)
- (3-(2,6-Dichlorophenyl)-5-methylisoxazol-4-yl)(4-(pyrimidin-2-yl)piperazin-1-yl)methanone (CAS 546062-79-7)
- 4-Bromophenyl 8-methyl-2-phenylquinoline-4-carboxylate (CAS 355421-41-9)
- 4,4’-Bis(hydroxymethyl)biphenyl (CAS 1667-12-5)
- 2,3-Dichloro-5-(trifluoromethyl)benzoic acid (CAS 25922-42-3)
- 1-(Difluoromethoxy)-3-fluorobenzene (CAS 34888-08-9)
- (E)-3-(Chloroformyl)-acrylic acid ethyl ester 26367-48-6 Ethyl fumaroyl chloride Ethyl fumaryl chloride (CAS 26367-48-6)
- 2-(tert-Butoxy)-5-(trifluoromethyl)phenol (CAS 1243404-12-7)
- 1-(3-((1H-pyrazol-1-yl)methyl)phenyl)-N-methylmethanamine (CAS 892502-10-2)
- Ethyl(o-tolyl)sulfane (CAS 3695-36-1)
- N-(4-Amino-2-fluorophenyl)-2,2,2-trifluoroacetamide (CAS 1349718-08-6)
- 3-[(2,5-dichlorophenoxy)methyl]benzoic acid (CAS 438466-28-5)
- Peptide T (CAS 106362-32-7)
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