1-(5-Bromo-2-fluorobenzyl)pyrrolidine-3-carboxylic acid CAS 1839983-62-8
| CAS No. | 1839983-62-8 |
| Molecular Formula | C12H13BrFNO2 |
| Molecular Weight | 302.14 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
1-(5-Bromo-2-fluorobenzyl)pyrrolidine-3-carboxylic acid (CAS 1839983-62-8) is a high-purity analytical reference standard with the molecular formula C12H13BrFNO2 and a molecular weight of 302.14 g/mol.
Structurally, 1-(5-Bromo-2-fluorobenzyl)pyrrolidine-3-carboxylic acid (C12H13BrFNO2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 302.14 g/mol, it falls into the moderately-high-molecular-weight range. 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 1-(5-Bromo-2-fluorobenzyl)pyrrolidine-3-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 | C12H13BrFNO2 |
| Molecular Weight | 302.14 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 |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1995 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
- 2,5-dichloro-4-[(4-nitrophenyl)sulfanyl]pyrimidine (CAS 1533867-24-1)
- Methyl 2-[(5-Bromo-2-fluorophenyl)amino]-2-cyclopropylacetate (CAS 1967246-40-7)
- Methyl 3-bromo-5-methoxythieno[3,2-b]pyridine-2-carboxylate (CAS 1398504-15-8)
- (5-Bromo-2-fluoro-3-methoxyphenyl)(pyrrolidin-1-yl)methanone (CAS 2586126-55-6)
- Methyl 5-amino-2-chloro-4-fluorobenzoate (CAS 141772-31-8)
- 4-Chloro-N-(2-chloro-5-(trifluoromethyl)phenyl)benzamide (CAS 3847-67-4)
- 7-Methyl-2-(methylthio)pyrido[2,3-d]pyrimidin-6-yl trifluoromethanesulfonate (CAS 1454682-76-8)
- 9-(3-Ethylphenyl)-4-phenyl-9,10-dihydro-2H,8H-chromeno[8,7-e][1,3]oxazin-2-one (CAS 859864-00-9)
- Ethyl 6-bromo-3-hydroxybenzo[b]thiophene-2-carboxylate (CAS 2116523-08-9)
- 3-(4-Ethoxyphenyl)-1,2-oxazol-5-amine (CAS 54606-18-7)
- tert-Butyl 2-(azetidin-3-yloxy)acetate (CAS 1243440-47-2)
- 1-(2,4,6-Trichlorophenyl)propan-2-one (CAS 1228284-86-3)
- N-(3-Aminopropyl)-N-methylpyridin-2-amine dihydrochloride (CAS 2095409-53-1)
- Gastrin Tetrapeptide (CAS 1947-37-1)
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