8-Bromo-5-(methylthio)-[1,2,4]triazolo[4,3-c]pyrimidine CAS 99451-55-5
| CAS No. | 99451-55-5 |
| Molecular Formula | C6H5BrN4S |
| Molecular Weight | 245.10 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 8-Bromo-5-(methylthio)-[1,2,4]triazolo[4,3-c]pyrimidine (C6H5BrN4S) 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 245.10 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
CATO supplies 8-Bromo-5-(methylthio)-[1,2,4]triazolo[4,3-c]pyrimidine (CAS 99451-55-5), a certified reference material (molecular formula C6H5BrN4S, MW 245.10 g/mol) for analytical method development and quality control.
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 8-Bromo-5-(methylthio)-[1,2,4]triazolo[4,3-c]pyrimidine 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 | C6H5BrN4S |
| Molecular Weight | 245.10 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
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Recommended Standards
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- 7-Bromo-1H-pyrido[2,3-b][1,4]thiazin-2(3H)-one (CAS 438622-20-9)
- 3-(3-Bromo-4-methoxyphenyl)propan-1-ol (CAS 1000530-47-1)
- (2,4-Dichlorophenyl)(imidazo[1,2-a]pyridin-3-yl)methanone (CAS 339013-21-7)
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- Hexyl 4-Hydroxybenzoate (CAS 1083-27-8)
- 2-(1-Methyl-1H-pyrazol-3-yl)benzenesulfonyl chloride (CAS 87488-81-1)
- 5-(4-Fluorobenzoyl)pyrimidine-2,4(1H,3H)-dione (CAS 724-03-8)
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