4-Bromo-3,5-difluorophenyl isothiocyanate CAS 1000577-92-3
| CAS No. | 1000577-92-3 |
| Molecular Formula | C7H2BrF2NS |
| Molecular Weight | 250.06 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-Bromo-3,5-difluorophenyl isothiocyanate is closely related to a nitrile group, sulfur-containing functionality, fluorine/bromine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
4-Bromo-3,5-difluorophenyl isothiocyanate (CAS 1000577-92-3) is a high-purity analytical reference standard with the molecular formula C7H2BrF2NS and a molecular weight of 250.06 g/mol.
Owing to a nitrile group, sulfur-containing functionality, fluorine/bromine substitution, an aromatic ring system, 4-Bromo-3,5-difluorophenyl isothiocyanate is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 250.06 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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.
As a certified reference material (CRM), 4-Bromo-3,5-difluorophenyl isothiocyanate 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 | C7H2BrF2NS |
| Molecular Weight | 250.06 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO |
| 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.) | 1988 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Bromo Standards
- 1-Bromo-2,3-difluoro-4-isothiocyanatobenzene (CAS 1000574-53-7)
- 4-Bromo-2,6-difluorophenyl isothiocyanate (CAS 1000574-64-0)
- 4-Bromo-2,5-difluorophenyl isothiocyanate (CAS 1000577-80-9)
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Recommended Standards
- 4-(Morpholine-4-carboxamido)phenylboronic acid (CAS 1015242-57-5)
- Ethyl 2-(3-bromo-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)acetate (CAS 2702997-64-4)
- 7-bromo-2,9,10-triazatricyclo[6.3.1.0⁴¹²]dodeca-1(11),4(12),5,7,9-pentaen-3-one (CAS 2767590-37-2)
- 6-Bromo-4-oxochromene-3-carbonitrile (CAS 52817-13-7)
- 2,3,4,5-Tetrahydro-1H-1-benzazepine-2-carboxylic acid (CAS 1367678-37-2)
- Ethyl 3-hydroxy-2,2-dimethyl-3-phenylpropanoate (CAS 35022-34-5)
- Ethyl 9-azabicyclo[3.3.1]nonane-3-carboxylate (CAS 141379-91-1)
- 1-[2,6-Difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanol (CAS 1858215-82-3)
- 4-(Methyl-d (CAS 1354190-90-1)
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- 1-Bromo-2-methyl-d3-propane-2,3,3,3-d4 (CAS 344299-41-8)
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