1,5-Dibromo-2-isothiocyanato-3-(trifluoromethoxy)benzene CAS 886501-31-1
| CAS No. | 886501-31-1 |
| Molecular Formula | C8H2Br2F3NOS |
| Molecular Weight | 376.98 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
1,5-Dibromo-2-isothiocyanato-3-(trifluoromethoxy)benzene (CAS 886501-31-1) is a high-purity analytical reference standard with the molecular formula C8H2Br2F3NOS and a molecular weight of 376.98 g/mol.
Structurally, 1,5-Dibromo-2-isothiocyanato-3-(trifluoromethoxy)benzene (C8H2Br2F3NOS) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/bromine substitution. 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 376.98 g/mol, it falls into the moderately-high-molecular-weight range. 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.
As a certified reference material (CRM), 1,5-Dibromo-2-isothiocyanato-3-(trifluoromethoxy)benzene 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 | C8H2Br2F3NOS |
| Molecular Weight | 376.98 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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.) | 1987 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- 6-Methoxythiazolo[4,5-b]pyridin-2-amine (CAS 1206248-05-6)
- (2,4-dichlorophenyl)[2-(methylamino)-1,3-thiazol-5-yl]methanone 339021-41-9 KS-00003DZ8 (CAS 339021-41-9)
- methyl 3,4-dioxopiperidine-1-carboxylate (CAS 2060029-54-9)
- 5-Isopropylindole (CAS 97820-51-4)
- 3-((4-Methylbenzyl)thio)-4H-benzo[b][1,4]thiazine 1,1-dioxide (CAS 477868-94-3)
- 3,3-Dimethyl-2-morpholino-2,3-dihydrobenzofuran-5-ol (CAS 1623-76-3)
- Semaglutide Impurity 130 (CAS 1188328-40-6)
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