Isopropyl 5-chloro-6-isopropoxynicotinate CAS 187401-46-3
| CAS No. | 187401-46-3 |
| Molecular Formula | C12H16ClNO3 |
| Molecular Weight | 257.71 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Isopropyl 5-chloro-6-isopropoxynicotinate (C12H16ClNO3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Isopropyl 5-chloro-6-isopropoxynicotinate (CAS 187401-46-3), molecular formula C12H16ClNO3 and molecular weight 257.71 g/mol, is a CATO reference standard with documented purity and traceability.
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.
As a certified reference material (CRM), Isopropyl 5-chloro-6-isopropoxynicotinate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C12H16ClNO3 |
| Molecular Weight | 257.71 g/mol |
| Appearance | Off-white to pale 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 chloroform, dichloromethane, ethyl acetate, DMSO |
| 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) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2010 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Related Isopropyl Standards
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- 4-Isopropyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxylic acid (CAS 355115-29-6)
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- N-isopropyl-6-(methoxymethyl)-2-phenylpyrimidin-4-amine (CAS 339279-03-7)
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Recommended Standards
- tert-Butyl (3-chloro-4-(hydroxymethyl)phenyl)carbamate (CAS 180150-16-7)
- tert-Butyl N-(3-chloro-4-hydroxyphenyl)-N-methylcarbamate (CAS 1881322-22-0)
- 2-(4-((4-Chlorobenzyl)oxy)phenyl)acetonitrile (CAS 175135-36-1)
- 2-(4-Chlorophenoxy)-N-methoxy-N,2-dimethylpropanamide (CAS 190264-41-6)
- (E)-1-butyl-2-((2-methylbenzylidene)amino)-4,5-diphenyl-1H-pyrrole-3-carbonitrile (CAS 478032-85-8)
- 4,4,5,5-tetramethyl-2-((1R,2R)-2-(3-(trifluoromethyl)phenyl)cyclopropyl)-1,3,2-dioxaborolane (CAS 2246414-66-2)
- 2-Propenoic acid, homopolymer, lithium salt (CAS 25656-42-2)
- Ethyl 3-((2-amino-5-chlorophenyl)sulfonyl)-1H-indole-2-carboxylate (CAS 206256-17-9)
- 4-[4-(Pyridin-2-yl)-1H-pyrazol-3-yl]morpholine (CAS 240115-91-7)
- 3-Amino-n-(4-fluorophenyl)propanamide (CAS 938515-70-9)
- 2-Amino-N-(3,5-dimethylphenyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide (CAS 312506-96-0)
- (2-Phenylthiazol-4-yl)(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone (CAS 1797791-78-6)
- 4-(Diethylamino)Azobenzene (CAS 2481-94-9)
- D-Asp9-Tirzepatide (CAS CATO-CPTD788923)
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