Name | 6-bromo-1,3-benzothiazole |
Synonyms | 6-Bromobenzothiazole 6-BROMO-BENZOTHIAZOLE BENZOTHIAZOLE, 6-BROMO- 6-BROMO-BENZO[D]THIAZOLE 6-bromo-1,3-benzothiazole 6-BROMO-1,3-BENZOTHIAZOLE Benzothiazole, 6-bromo- (9CI) |
CAS | 53218-26-1 |
InChI | InChI=1/C7H4BrNS/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H |
Molecular Formula | C7H4BrNS |
Molar Mass | 214.08 |
Density | 1.748±0.06 g/cm3(Predicted) |
Melting Point | 52-54℃ |
Boling Point | 143 °C(Press: 12 Torr) |
Flash Point | 130.09°C |
Vapor Presure | 0.003mmHg at 25°C |
pKa | 0.21±0.10(Predicted) |
Storage Condition | 2-8°C |
Refractive Index | 1.718 |
MDL | MFCD04115372 |
Hazard Symbols | Xn - Harmful |
Risk Codes | R22 - Harmful if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin. |
Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S37/39 - Wear suitable gloves and eye/face protection |
UN IDs | 2811 |
HS Code | 29339900 |
application | 6-bromo-1, 3-benzothiazole belongs to benzothiazole derivatives, benzothiazole is a very important class of nitrogen-containing fused heterocyclic compounds, which have potential effects in antibacterial, anti-parasitic and anti-tumor aspects, and can also be applied to the synthesis of luminescent materials, it is a widely used compound intermediate. |
preparation | add 2 ml of water, 1 mmol of 3-bromobenzothioamide and 0.2 mmol of cesium carbonate into a microwave reactor, react in a fixed power of 120 W for 10 min, extract ethyl acetate, concentrate under reduced pressure, and separate the product from silica gel column to obtain a light yellow solid with a yield of 93%. |