1-Bromo-3,5-difluorobenzene CAS 461-96-1
Pharmaceutical Materials 2025-03-03
1-Bromo-3,5-difluorobenzene, with a CAS number of 461-96-1, is a key intermediate in organic synthesis, particularly in pharmaceuticals and liquid crystal materials. Its molecular formula is C₆H₃BrF₂, with a molecular weight of 192.99 g/mol. This compound exists as a colorless to slightly yellow liquid, exhibiting a boiling point of 140°C and a melting point of -27°C. Its solubility in water is low (0.238 g/L at 20°C), but it is compatible with organic solvents. The molecule’s reactivity stems from the bromine and fluorine substituents, enabling its use in nucleophilic aromatic substitution reactions and metal-catalyzed cross-couplings. Its applications include the synthesis of GluN2C/D antagonists for neurological research and COX-2 inhibitors with anti-inflammatory and anticancer properties.
Usage: Used as intermediates in medicine or liquid crystal materials.
Packaging and Shipping： 1000KG/IBC drum; 200KG/drum or as per buyer requirment.
Storage: in a dry and ventilated warehouse; keep away from sunshine; avoid fire; avoid moisture.
| Name | 1-Bromo-3,5-difluorobenzene |
| Synonyms | 3,5-Difluorobromobenzene 3,5-DIFLUOROBROMOBENZENE 1-Brom-3,5-difluorbenzol 3,5-Difluoro bromobenzene 1-BROMO-3,5-DIFLUOROBENZENE 1-Bromo-3,5-difluorobenzene 3,5-difluoro-1-bromobenzene 1-bromo-3,5-difluoro-benzene 1-Bromo-3,5-Difluoro Benzene |
| CAS | 461-96-1 |
| EINECS | 416-710-2 |
| InChI | InChI=1/C6H3BrF2/c7-4-1-5(8)3-6(9)2-4/h1-3H |
| InChIKey | JHLKSIOJYMGSMB-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrF2 |
| Molar Mass | 192.99 |
| Density | 1.676 g/mL at 25 °C (lit.) |
| Melting Point | -27 °C |
| Boling Point | 140 °C (lit.) |
| Flash Point | 112°F |
| Water Solubility | 0.238 g/L (20 ºC) |
| Solubility | 0.238g/l |
| Vapor Presure | 7.81mmHg at 25°C |
| Appearance | Liquid |
| Specific Gravity | 1.686 |
| Color | Clear colorless to light yellow |
| BRN | 1931520 |
| PH | 6.6 (0.238g/l, H2O, 20℃) |
| Storage Condition | Sealed in dry,2-8°C |
| Refractive Index | n20/D 1.499(lit.) |
| Physical and Chemical Properties | Density 1.676 melting point -27°C boiling point 140°C refractive index 1.498-1.5 flash point 45°C water-soluble 0.238g/L (20°C) |
| Use | For pharmaceutical or liquid crystal material intermediates |
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