Benzonitrile, 3-bromo-4-(phenylthio)- 869854-58-0 A1-00809 CAS 869854-58-0
| CAS No. | 869854-58-0 |
| Molecular Formula | C13H8BrNS |
| Molecular Weight | 290.18 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 Benzonitrile, 3-bromo-4-(phenylthio)- 869854-58-0 A1-00809.
CATO supplies Benzonitrile, 3-bromo-4-(phenylthio)- 869854-58-0 A1-00809 (CAS 869854-58-0), a certified reference material (molecular formula C13H8BrNS, MW 290.18 g/mol) for analytical method development and quality control.
Based on its molecular formula C13H8BrNS, Benzonitrile, 3-bromo-4-(phenylthio)- 869854-58-0 A1-00809 contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 290.18 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C13H8BrNS |
| Molecular Weight | 290.18 g/mol |
| 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 |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Benzonitrile Standards
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Recommended Standards
- N-Cyclopropyl-4-bromo-3-methylbenzenesulfonamide (CAS 876875-59-1)
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- Ethyl 2-bromo-4,5,6,7-tetrahydrobenzo[d]thiazole-4-carboxylate (CAS 729590-69-6)
- (E)-5-(3,4-Dichlorobenzylidene)-2-mercaptothiazol-4(5H)-one (CAS 1064366-80-8)
- Methyl 5-oxo-5,11-dihydroisoindolo[2,1-a]quinazoline-2-carboxylate (CAS 327106-16-1)
- N-(1-Phenylethyl)propan-2-amine (CAS 19302-16-0)
- 1-(4-((Tetrahydro-2H-pyran-2-yl)oxy)but-2-yn-1-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CAS 2378052-69-6)
- 4-(3-Fluoro-5-(trifluoromethyl)phenyl)-2-hydrazinylthiazole (CAS 886504-55-8)
- 1-Benzyl-5-butyl-3,6-diphenoxypyridazin-4(1H)-one (CAS 919198-07-5)
- 2-Amino-1-(2,3-difluorophenyl)ethan-1-one (CAS 1211523-67-9)
- 4-Ethoxythiophene-2-carboxylic acid (CAS 917980-53-1)
- 8-Methyl-3,4-dihydro-2h-1,3-benzoxazine-2,4-dione (CAS 24088-78-6)
- 4-benzyl-2H,2'H,4H-spiro[benzo[b][1,4]oxazine-3,3'-furan] (CAS 1799616-64-0)
- Semaglutide impurity 205 (CAS CATO-C4X-2226205)
Why CATO?
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