1-Bromodibenzothiophene
- CAS NO.:65642-94-6
- Empirical Formula: C12H7BrS
- Molecular Weight: 263.15
- MDL number: MFCD18451629
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-10-25 15:14:13
What is 1-Bromodibenzothiophene?
The Uses of 1-Bromodibenzothiophene
1-Bromodibenzothiophene can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development processes and chemical production processes.
Synthesis
Into a 1 L four-necked round bottom flask equipped with a stirrer, a Liebig condenser (not required), a 100 mL dropping funnel and a thermometer, 43.5 g (0.156 mol) of the amine hydrochloride obtained in the above ), 240 mL of acetic acid, 55 mL of concentrated hydrochloric acid and 143 mL of water were placed and cooled to -5 ?? C. or lower in an ice water bath. Next, an aqueous solution of 12.0 g (0.173 mol) of sodium nitrite dissolved in 67 mL of water was added dropwise from the dropping funnel at a temperature not exceeding 5 ?? C., and the mixture was stirred at 5 ?? C. or less for 1 hour.The resulting diazo solution was transferred to a 1 L dropping funnel and set in a 1 L 4-necked round bottom flask equipped with a stirrer, a Liebig condenser (not required) and a thermometer, and then 50 % Hypophosphorous acid and 90 mL of water were added, and the mixture was cooled to -5 ?? C. or lower in an ice water bath. Subsequently, the diazo solution was added dropwise at a temperature not exceeding 5 ?? C., after stirring for 1 hour in an ice water bath, it was returned to room temperature and stirred at room temperature for 48 hours.The obtained reaction solution was extracted twice with 310 mL of ethyl acetate, then washed twice with 310 mL of water, dried with magnesium sulfate, magnesium sulfate was removed by suction filtration, and the solvent was distilled off under reduced pressure. Subsequently, the obtained crude oil was purified on a silica gel column using n-heptane as a developing solution to obtain 33.8 g (yield: 82.5%) of the desired bromide.
Properties of 1-Bromodibenzothiophene
Melting point: | 84 °C |
Boiling point: | 386.6±15.0 °C(Predicted) |
Density | 1.611±0.06 g/cm3(Predicted) |
form | powder to crystal |
color | White to Orange to Green |
Safety information for 1-Bromodibenzothiophene
Signal word | Danger |
Pictogram(s) |
Corrosion Corrosives GHS05 |
GHS Hazard Statements |
H227:Flammable liquids H314:Skin corrosion/irritation |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P260:Do not breathe dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P310:Immediately call a POISON CENTER or doctor/physician. P363:Wash contaminated clothing before reuse. P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P370+P378:In case of fire: Use … for extinction. P405:Store locked up. P403+P235:Store in a well-ventilated place. Keep cool. P501:Dispose of contents/container to..… |
Computed Descriptors for 1-Bromodibenzothiophene
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ALUMINIUM IODIDE 100 GM BUFFER CAPSULE PH 7.0 - 10 CAP BUFFER SOLUTION PH 9.5 (BORATE) EZEE BLUE GEL STAINER BORAX CARMINE (GRENACHERS ALCOHOLIC) POTASSIUM IODATE - IODIDE SOLN 0.1 N Dabigatran Acyl-O3-D-Glucuronide Trifluoroacetic Acid Salt Isofolic Acid Dabigatran 2-O-acylglucuronide metabolite Dabigatran Acyl-?-D- glucuronide Trifluroacetic Acid Erythromycin EP Impurity A Desloratidine Related Compound ARelated products of tetrahydrofuran
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