4-Bromo-2-methylbut-3-yn-2-yl 4-nitrobenzoate CAS 100123-29-3
| CAS No. | 100123-29-3 |
| Molecular Formula | C12H10BrNO4 |
| Molecular Weight | 312.12 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 4-Bromo-2-methylbut-3-yn-2-yl 4-nitrobenzoate.
CATO supplies 4-Bromo-2-methylbut-3-yn-2-yl 4-nitrobenzoate (CAS 100123-29-3), a certified reference material (molecular formula C12H10BrNO4, MW 312.12 g/mol) for analytical method development and quality control.
The molecular framework of 4-Bromo-2-methylbut-3-yn-2-yl 4-nitrobenzoate (C12H10BrNO4) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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 4-Bromo-2-methylbut-3-yn-2-yl 4-nitrobenzoate 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 | C12H10BrNO4 |
| Molecular Weight | 312.12 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 methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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.) | 1985 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
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- (R)-3-(4,4-difluoropyrrolidin-2-yl)-5-fluoropyridine (CAS 2088056-53-3)
- 3-Cyclopropoxy-2-isopropoxy-4-(trifluoromethyl)pyridine (CAS 1243441-93-1)
- 2-(3-Fluorobenzenesulfonyl)ethylamine (CAS 1514857-05-6)
- 8-Chloro-3-(piperidin-4-yl)quinolin-2(1H)-one (CAS 885654-38-6)
- 5-Chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole (CAS 54635-62-0)
- (3R,4R,5S)-5-(Bromomethyl)-3,4-dihydroxydihydrofuran-2(3H)-one (CAS 191348-58-0)
- 2-(2-HYdroxyethoxy)ethyl methanesulfonate (CAS 118591-57-4)
- 4-Amino-6-(pyridin-4-yl)-1,3,5-triazin-2(1H)-one (CAS 61382-85-2)
- 2-(2-Methoxyphenyl)quinoline-8-carboxamide (CAS 655222-49-4)
- Insulin Degludec Impurity 17 (CAS CATO-C4X-215717)
Why CATO?
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