1-(Boc-aminomethyl)-3-bromobenzene CAS 171663-13-1
| CAS No. | 171663-13-1 |
| Molecular Formula | C12H16BrNO2 |
| Molecular Weight | 286.16 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution, 1-(Boc-aminomethyl)-3-bromobenzene is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 286.16 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
1-(Boc-aminomethyl)-3-bromobenzene (CAS 171663-13-1) is a high-purity analytical reference standard with the molecular formula C12H16BrNO2 and a molecular weight of 286.16 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), 1-(Boc-aminomethyl)-3-bromobenzene 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 | C12H16BrNO2 |
| Molecular Weight | 286.16 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2006 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
Related Boc Standards
- 2-(Aminomethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-4-carboxylic acid (CAS 1804712-26-2)
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- 4-(Aminomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)picolinic acid (CAS 1805294-11-4)
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Recommended Standards
- 5-bromo-4-(diethylamino)-2-methoxybenzaldehyde (CAS 1706436-99-8)
- tert-Butyl (2-(bromomethyl)phenyl)carbamate (CAS 166329-43-7)
- N-Boc-2-bromobenzylamine (CAS 162356-90-3)
- 2-Bromo-N-(4-ethoxyphenyl)-N-methylpropanamide (CAS 153880-70-7)
- 1-(4-Bromophenyl)-3-ethoxypropan-1-one (CAS 859954-71-5)
- Temephos-d12 (CAS 1219795-39-7)
- N-hydroxy-2-(3-(trifluoromethyl)phenoxy)acetimidamide (CAS 690632-15-6)
- 7-Amino-4-coumarincarboxylic Acid Ethyl Ester (CAS 85157-16-0)
- Voriconazole Impurity 58 (CAS CATO-C4X-136658)
- 9-Amino-3,3-dimethyl-1,2,3,4-tetrahydroacridin-1-one (CAS 130186-64-0)
- N-(2-bromo-4-(trifluoromethoxy)phenyl)pivalamide (CAS 2325414-15-9)
- 3,6,9,12-Tetraoxahexadecan-1-ol, 15-methyl-, 1-(dihydrogen phosphate) (CAS 63217-09-4)
- 3-Acetyl-5-(dimethylamino)-2H-pyrano[3,2-c]quinolin-2-one (CAS 172753-39-8)
- 59880-97-6 Chemotactic peptide F-Met-Leu-Phe L-Phenylalanine, N-(N-(N-formyl-L-methionyl)-L-leucyl)- N-Formyl-L-methionyl-L-leucyl-L-phenylalanine N-Formyl-Met-Leu-Phe N-Formylmethionine leucyl-phenylalanine fMLF fMLP (misnomer but widely used) (CAS 59880-97-6)
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