3-Pyridyl bromide
3-Bromopyridine
CAS: 626-55-1
Molecular Formula: C5H4BrN
3-Pyridyl bromide - Names and Identifiers
| Name | 3-Bromopyridine |
| Synonyms | AURORA KA-875 3-BROMOPYRIDINE 3-Bromopyridine 3-bromo-pyridin 5-BROMO PYRIDINE 3-Pyridyl bromide 3-pyridyl bromide Pyridine, 3-bromo- TIMTEC-BB SBB003998 3-Bromopyridine 5-Bromo Pyridine |
| CAS | 626-55-1 |
| EINECS | 210-952-0 |
| InChI | InChI=1/C5H4BrN/c6-5-2-1-3-7-4-5/h1-4H |
| InChIKey | NYPYPOZNGOXYSU-UHFFFAOYSA-N |
3-Pyridyl bromide - Physico-chemical Properties
| Molecular Formula | C5H4BrN |
| Molar Mass | 158 |
| Density | 1.64 g/mL at 25 °C (lit.) |
| Melting Point | -27°C |
| Boling Point | 173 °C (lit.) |
| Flash Point | 125°F |
| Water Solubility | Soluble in water (31 g/L at 20°C). |
| Solubility | 31g/l |
| Vapor Presure | 1.64hPa at 25℃ |
| Appearance | Liquid |
| Specific Gravity | 1.617 |
| Color | Clear colorless to yellow or slightly brown |
| BRN | 105880 |
| pKa | 2.84(at 25℃) |
| Storage Condition | Keep in dark place,Inert atmosphere,2-8°C |
| Refractive Index | n20/D 1.571(lit.) |
| Physical and Chemical Properties | yellow transparent liquid |
3-Pyridyl bromide - Risk and Safety
| Risk Codes | R10 - Flammable R22 - Harmful if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin. R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S38 - In case of insufficient ventilation, wear suitable respiratory equipment. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S28A - S16 - Keep away from sources of ignition. |
| UN IDs | UN 1993 3/PG 3 |
| WGK Germany | 3 |
| FLUKA BRAND F CODES | 8 |
| TSCA | Yes |
| HS Code | 29333999 |
| Hazard Note | Toxic/Flammable/Irritant |
| Hazard Class | 6.1 |
| Packing Group | III |
3-Pyridyl bromide - Reference Information
| LogP | 1.694 |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Introduction | 3-bromopyridine is soluble in water, ethanol and ether and can be used as an intermediate in pharmaceuticals, pesticides and organic synthesis. |
| Application | in the field of medicine and pesticide, it is an important intermediate of the antidepressant qimeidine hydrochloride, and also an important intermediate of the neurotic drug procamole. In addition, 3-bromopyridine also has applications in the field of optoelectronic materials. |
| synthesis method | a synthesis method of 3-bromopyridine, comprising the following steps: add 60g of pyridine and ml of water into a 40% ml three-necked flask, add HBr Dropwise under stirring (160g, temperature control during dropwise addition: 20-30 ℃), add Dropwise and stir to clear solution, the bromination reaction solution was obtained; After heating the bromination reaction solution to 70 ℃, 30% H2O280mL was slowly added dropwise, and the process control temperature was 70-80 ℃ (slow exothermic during dropwise addition), after completion of dropwise addition, the mixture was stirred at 80 ℃ for 24 hours to obtain a crude product. The crude product was cooled to below 10 ℃, and the pH was adjusted to pH = 8 with 3N NaOH aqueous solution, ethyl acetate (350ml × 3) was added for extraction, and the organic phase was back-washed with aqueous sodium sulfite solution to obtain an extract (organic phase); The extract (organic phase) was concentrated and then distilled under reduced pressure, thus, 31g of 3-bromopyridine was obtained with a GC purity of 85.1%. |
| Use | an intermediate of the antidepressant qimidine hydrochloride. |
| category | explosive articles |
| explosive hazard characteristics | strongly alkaline; Reaction with acetic acid-hydrogen peroxide mixture (above 50 ℃) |
| flammability hazard characteristics | Thermal decomposition emissions of toxic nitrogen oxides and bromides |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; It is stored separately from acid and oxidant |
| fire extinguishing agent | foam, carbon dioxide, water mist |
Last Update：2024-04-09 20:44:15
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