Isopropyl 2-(2-(trifluoromethyl)-1H-benzo[d]imidazol-4-yl)acetate CAS 896887-01-7
| CAS No. | 896887-01-7 |
| Molecular Formula | C13H13F3N2O2 |
| Molecular Weight | 286.25 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of Isopropyl 2-(2-(trifluoromethyl)-1H-benzo[d]imidazol-4-yl)acetate (C13H13F3N2O2) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
Isopropyl 2-(2-(trifluoromethyl)-1H-benzo[d]imidazol-4-yl)acetate (CAS 896887-01-7) is a high-purity analytical reference standard with the molecular formula C13H13F3N2O2 and a molecular weight of 286.25 g/mol.
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 2-(2-(trifluoromethyl)-1H-benzo[d]imidazol-4-yl)acetate 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 | C13H13F3N2O2 |
| Molecular Weight | 286.25 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Related Isopropyl Standards
- 1-Isopropyl-2-trifluoromethyl-1H-benzoimidazole-5-carboxylic acid methyl ester (CAS 1390621-32-5)
- 5-Isopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole (CAS 1421252-95-0)
- 3-Isopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine (CAS 1620574-98-2)
- 1-Isopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine (CAS 2271476-62-9)
- 3-Isopropyl-N'-(2-methoxybenzylidene)-1H-pyrazole-5-carbohydrazide (CAS 303108-07-8)
- 3-Isopropyl-N'-(3-methoxybenzylidene)-1H-pyrazole-5-carbohydrazide (CAS 303106-33-4)
- Isopropyl 2-(6-oxo-3-(p-tolyl)pyridazin-1(6H)-yl)acetate (CAS 853330-63-9)
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Recommended Standards
- Diaquabis(2,3-dihydroxypropanoato-O1,O2)-Calcium (CAS 67539-25-7)
- Methyl 2-(4-fluorophenyl)-5-hydroxybenzofuran-3-carboxylate (CAS 691856-96-9)
- 4-Methoxy-2-(7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl)phenol (CAS 240417-95-2)
- N-(3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl)pivalamide (CAS 478066-15-8)
- 3-Methoxy-4-[2-oxo-2-(pyrrolidin-1-yl)ethoxy]benzaldehyde (CAS 760183-53-7)
- 3-(1-Ethyl-1H-pyrazol-4-yl)-N-methylpropan-1-amine (CAS 1273838-02-0)
- Decahydronaphthalene-2-sulfonyl chloride (CAS 158147-84-3)
- 1-(2-Chlorobenzyl)-2-(2-chloropyridin-3-yl)-1H-benzo[d]imidazole (CAS 338411-31-7)
- 2-(5-Methyl-2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1H-imidazole (CAS 623572-97-4)
- Fmoc-S-[2-(4-pyridyl)ethyl]-DL-penicillamine (CAS 1219404-63-3)
- (4-Chloro-2-pyridinyl)cyclopropyl-methanone (CAS 881204-94-0)
- 3-Methoxythieno[3,4-b]pyridine-5,7-diamine (CAS 1071365-43-9)
- (3Z)-1-(4-Chlorophenyl)-3-[(dimethylamino)methylidene]pyrrolidin-2-one (CAS 339020-56-3)
- Glucagon receptor antagonists-2 (CAS 202917-18-8)
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