8-Bromo-3-methyl-5-(methylthio)-[1,2,4]triazolo[4,3-c]pyrimidine CAS 99451-54-4
| CAS No. | 99451-54-4 |
| Molecular Formula | C7H7BrN4S |
| Molecular Weight | 259.13 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 8-Bromo-3-methyl-5-(methylthio)-[1,2,4]triazolo[4,3-c]pyrimidine.
8-Bromo-3-methyl-5-(methylthio)-[1,2,4]triazolo[4,3-c]pyrimidine (CAS 99451-54-4) is a high-purity analytical reference standard with the molecular formula C7H7BrN4S and a molecular weight of 259.13 g/mol.
Structurally, 8-Bromo-3-methyl-5-(methylthio)-[1,2,4]triazolo[4,3-c]pyrimidine (C7H7BrN4S) contains a nitrile group, sulfur-containing functionality, bromine substitution, an aromatic ring system. 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 259.13 g/mol, it falls into the medium-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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.
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 | C7H7BrN4S |
| Molecular Weight | 259.13 g/mol |
| 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related Bromo Standards
- 8-Bromo-7-methyl-5-(methylthio)-[1,2,4]triazolo[4,3-c]pyrimidine (CAS 2414520-36-6)
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- 4-Bromo-2-[2-(dimethylamino)ethoxy]aniline (CAS 1072906-05-8)
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- 4-Bromo-1-isopropyl-N,N-dimethyl-1H-pyrrole-2-carboxamide (CAS 1153308-55-4)
- 1-Bromo-5-isopropyl-2,4-dimethoxybenzene (CAS 1155371-46-2)
- 1-(5-Bromo-2-fluorophenyl)piperazine (CAS 1178641-70-7)
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Recommended Standards
- 6,7-Dichloro-5-hydroxy-2-propyl-2,3-dihydro-1H-inden-1-one (CAS 850331-38-3)
- 5,6-DICHLORO-1,3-DIETHYL-1H-BENZO[D]IMIDAZOL-2(3H)-ONE (CAS 334829-59-3)
- Lofexidine - API Standards (CAS 31036-80-3)
- 4-(5,6-Dichloro-1H-benzo[d]imidazol-1-yl)butan-1-ol (CAS 883061-57-2)
- bicyclo[2.1.1]hexane-1,4-dicarboxylic acid (CAS 85407-65-4)
- Methyl 2-isobutyramido-2-methylpropanoate (CAS 445396-06-5)
- 2-Chloro-6-(4-methylphenyl)nicotinonitrile (CAS 942474-06-8)
- 7-Bromo-1,2,3,4-tetrahydro-1,6-naphthyridine (CAS 1260667-79-5)
- 3-Fluoro-N1-(2-methoxyethyl)benzene-1,2-diamine (CAS 1183707-64-3)
- 2-(4'-Bromo-[1,1'-biphenyl]-4-yl)-2,2-difluoroethan-1-ol (CAS 1296274-23-1)
- Methyl 2-(1,4-dioxaspiro[4.5]Decan-8-yl)acetate (CAS 317338-46-8)
- N,N-dimethyl-3-(3-((methylamino)methyl)phenoxy)propan-1-amine (CAS 910037-03-5)
- 4-(4-Butyl-phenyl)-5-thiophen-2-yl-4H-[1,2,4]triazole-3-thiol (CAS 525581-96-8)
- Semaglutide impurity 89 (CAS CATO-C4X-222689)
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