2-(3-Chlorophenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole CAS 2416673-68-0
| CAS No. | 2416673-68-0 |
| Molecular Formula | C18H22BClN2O2 |
| Molecular Weight | 344.64 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), 2-(3-Chlorophenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole 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.
2-(3-Chlorophenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole (CAS 2416673-68-0) is a high-purity analytical reference standard with the molecular formula C18H22BClN2O2 and a molecular weight of 344.64 g/mol.
Structurally, 2-(3-Chlorophenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole (C18H22BClN2O2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.5, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 344.64 g/mol, it falls into the moderately-high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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.
Physical & Chemical Properties
| Molecular Formula | C18H22BClN2O2 |
| Molecular Weight | 344.64 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) | 8.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2000 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
Related Chlorophenyl Standards
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- 2-((3-(4-Chlorophenyl)-2-methyl-4-oxo-4h-chromen-7-yl)oxy)acetic acid (CAS 929417-54-9)
- 4-(2-Chlorophenyl)-3-methyl-1-[(4-nitrophenyl)methyl]-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 860789-88-4)
- 4-(3-Chlorophenyl)-3-methyl-1-[(4-nitrophenyl)methyl]-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 860786-51-2)
- 4-(4-Chlorophenyl)-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 860786-63-6)
- 1-(3-Chlorophenyl)-3-(1-(4-fluorobenzyl)-1H-pyrazol-3-yl)urea (CAS 1006199-61-6)
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Recommended Standards
- 2-(3-((4-Chlorophenoxy)methyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 2246802-64-0)
- 2-(4-((2-Chlorobenzyl)oxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 854371-84-9)
- 2-(3-((4-Chlorobenzyl)oxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 2246811-63-0)
- 2-(4-((3-Chlorobenzyl)oxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 2246887-57-8)
- 3-(Hydroxymethyl)benzo[d]thiazole-2(3H)-thione (CAS 3161-57-7)
- Medetomidine Impurity 30 (CAS 172498-90-7)
- 4-Chloro-1-((5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)-1H-pyrazole-3-carboxylic acid (CAS 1006341-09-8)
- 4-Amino-5-[3-(propan-2-yloxy)phenyl]-4h-1,2,4-triazole-3-thiol (CAS 893727-44-1)
- 4-(2-Methoxybenzoyl)-2-methyl-6-phenylpyridazin-3(2H)-one (CAS 832712-32-0)
- 1-(1,3,4-Thiadiazol-2-yl)pyrrolidin-3-amine (CAS 1339254-02-2)
- N1,N1-Diisobutylhexane-1,6-diamine (CAS 16121-92-9)
- Voriconazole Impurity 85 (CAS CATO-C4X-136685)
- (R)-3-((tert-Butoxycarbonyl)amino)-4-(2,4-dichlorophenyl)butanoic acid (CAS 269396-53-4)
- Peptide 432 (CAS CATO-CPTD788432)
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