3-Bromo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a][1,4]diazepine CAS 1260666-54-3
| CAS No. | 1260666-54-3 |
| Molecular Formula | C6H9BrN4 |
| Molecular Weight | 217.07 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 3-Bromo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a][1,4]diazepine.
3-Bromo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a][1,4]diazepine (CAS 1260666-54-3) is a high-purity analytical reference standard with the molecular formula C6H9BrN4 and a molecular weight of 217.07 g/mol.
Based on its molecular formula C6H9BrN4, 3-Bromo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a][1,4]diazepine contains a nitrile group, bromine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 217.07 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C6H9BrN4 |
| Molecular Weight | 217.07 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, 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 |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 4 |
Related Bromo Standards
- 6-Bromo-N2-ethylpyrazine-2,3-diamine (CAS 117719-10-5)
- 2-Bromo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a][1,4]diazepine (CAS 1260663-43-1)
- N-(4-bromo-5-methyl-1H-pyrazol-3-yl)acetimidamide (CAS 1304777-34-1)
- 3-Bromo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine hydrochloride (CAS 1379370-40-7)
- 5-Bromo-4-hydrazinyl-2,6-dimethylpyrimidine (CAS 69696-36-2)
- 5-Bromo-6-ethylpyrimidine-2,4-diamine (CAS 861103-60-8)
- 2-Bromo-1-(1,3-dimethyl-1H-pyrazol-5-yl)ethan-1-one (CAS 1015936-63-6)
- 6-Bromo-5-ethoxypyridin-3-amine (CAS 1020253-84-2)
Recommended Standards
- N1-(5-bromopyrimidin-2-yl)ethane-1,2-diamine (CAS 1232396-72-3)
- (1-Benzyl-1,2,5,6-tetrahydropyridin-3-yl)boronic acid (CAS 1401448-32-5)
- 1-Bromo-2,5-dimethoxybenzene (CAS 25245-34-5)
- (1-Benzyl-1,2,3,6-tetrahydropyridin-4-yl)boronic acid (CAS 1974329-96-8)
- 4-Bromo-1-isobutyl-3-trifluoromethyl-1H-pyrazole (CAS 1437794-62-1)
- ethyl(methyl)sulfamoyl chloride (CAS 35856-61-2)
- 2-(3-Bromo-2,2-dimethylpropoxy)butane (CAS 1489663-65-1)
- [3-(Aminomethyl)oxolan-3-yl]methanol (CAS 1506738-56-2)
- 2,2'-((4-(Dimethylamino)-1,2-phenylene)bis(sulfanediyl))diacetonitrile (CAS 139483-31-1)
- (4S)-3,4-Dihydro-2H-1-benzothiopyran-4-ol (CAS 135711-13-6)
- (S)-N-(tert-Butyl)pyrrolidin-3-amine (CAS 2377473-65-7)
- tert-Butyl 3-(3-Amino-4-chlorophenyl)-5-methylpiperidine-1-carboxylate (CAS 2181780-03-8)
- Ethyl 3-bromo-5-(chlorosulfonyl)benzoate (CAS 1155912-18-7)
- Q-Peptide trifluoroacetate salt (CAS 1361235-89-3)
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