2-(4-Chlorobutyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid CAS 112893-27-3
| CAS No. | 112893-27-3 |
| Molecular Formula | C14H14ClNO3 |
| Molecular Weight | 279.72 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-(4-Chlorobutyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2-(4-Chlorobutyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid (CAS 112893-27-3), molecular formula C14H14ClNO3 and molecular weight 279.72 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C14H14ClNO3, 2-(4-Chlorobutyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid 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 279.72 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.
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.
CATO manufactures 2-(4-Chlorobutyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C14H14ClNO3 |
| Molecular Weight | 279.72 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 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Related Chlorobutyl Standards
- 2-((4-Chlorobutyl)(methyl)amino)-N-(2,6-dimethylphenyl)acetamide (CAS 36191-21-6)
- (4-Chlorobutyl)(3,4-dichlorobenzyl)sulfane (CAS 124880-20-2)
- Methyl 3-(4-chlorobutyl)-1H-indole-5-carboxylate (CAS 115092-81-4)
- 2-(4-Chlorobutyl)-7-methoxyisoquinolin-1(2H)-one (CAS 913614-05-8)
- N-(4-Chlorobutyl)quinoline-4-carboxamide (CAS 502708-41-0)
- 9-((4-Chlorobutyl)thio)acridine (CAS 827303-12-8)
- 3-(4-Chlorobutyl)-1H-indole-5-carboxamide (CAS 173150-58-8)
- 4-(4-Chlorobutyl)-1,1'-biphenyl (CAS 37949-69-2)
Recommended Standards
- 3-[5-(Chloromethyl)-1,2,4-oxadiazol-3-yl]-N-isopropylbenzamide (CAS 1119452-67-3)
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- 3-(5-(Chloromethyl)-1,2,4-oxadiazol-3-yl)-N-ethyl-N-methylbenzamide (CAS 1119449-61-4)
- 2-Chloro-3-(1H-indol-3-yl)-quinoxaline (CAS 1146080-41-2)
- 2-(2-Formyl-4-methylphenoxy)acetamide (CAS 1343306-33-1)
- 7-(chloromethyl)quinazolin-4-amine (CAS 323591-38-4)
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- Boc-DL-Asu-OH (CAS 292642-79-6)
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- (2E)-1-(2,5-Dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one (CAS 1600502-76-8)
- 3-[4-(4-Fluorophenyl)piperazine-1-carbonyl]-5-methyl-5H,5aH,6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-12-one (CAS 1775471-99-2)
- (Propan-2-yl)[2-(1,3-thiazol-2-yl)ethyl]amine (CAS 1225627-16-6)
- Biotinyl-Neuropeptide Y (human, rat) trifluoroacetate salt (CAS 213779-13-6)
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