| Identification | More | [Name]
4-Bromo-1H-imidazole | [CAS]
2302-25-2 | [Synonyms]
4-BROMO-1H-IMIDAZOLE
4-BROMOIMIDAZOLE
4(or5)-bromo-imidazol
4(or5)-bromoimidazole
4-bromo-1h-imidazol
4-bromo-imidazol
4-Bromo-1H-imidazole,98% | [Molecular Formula]
C3H3BrN2 | [MDL Number]
MFCD00047021 | [Molecular Weight]
146.97 | [MOL File]
2302-25-2.mol |
| Chemical Properties | Back Directory | [Appearance]
Colorless to beige crystalline flakes or powder | [Melting point ]
131-135 °C (lit.) | [Boiling point ]
324.7±15.0 °C(Predicted) | [density ]
1.904±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,2-8°C | [solubility ]
soluble in Dimethylformamide | [form ]
Crystalline Flakes or Powder | [pka]
11.70±0.10(Predicted) | [color ]
Colorless to beige | [Water Solubility ]
Slightly soluble in water. | [InChI]
InChI=1S/C3H3BrN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6) | [InChIKey]
FHZALEJIENDROK-UHFFFAOYSA-N | [SMILES]
C1NC(Br)=CN=1 | [CAS DataBase Reference]
2302-25-2(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
T | [Risk Statements ]
R25:Toxic if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S37/39:Wear suitable gloves and eye/face protection . | [RIDADR ]
UN 2811 6.1/PG 3
| [WGK Germany ]
3
| [RTECS ]
NI3517450
| [Hazard Note ]
Irritant | [HazardClass ]
6.1 | [PackingGroup ]
Ⅲ | [HS Code ]
29339900 | [Toxicity]
rat,LD50,oral,250mg/kg (250mg/kg),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)GASTROINTESTINAL: OTHER CHANGES,Toxicology and Applied Pharmacology. Vol. 89, Pg. 175, 1987. |
| Hazard Information | Back Directory | [Chemical Properties]
Colorless to beige crystalline flakes or powder | [Uses]
Employed as an important intermediate for raw material for organic synthesis, agrochemical, pharmaceutical and dyestuff field | [General Description]
4-Bromo-1H-imidazole (4-Br-1H-Im) is a heterocyclic building block containing an imidazole ring. It crystallizes in the monoclinic space group P21/c. | [Synthesis]
General procedure for the synthesis of 4-bromo-1H-imidazole from 2,4,5-tribromoimidazole: 2,4,5-tribromoimidazole (49 g, 161 mmol), sodium sulfite (101.5 g, 806 mmol), and water (500 mL) were added to a single-necked flask, and the reaction was stirred for 6 h at 110 °C. The reaction was carried out with the addition of ethyl acetate. After completion of the reaction, ethyl acetate was added for extraction, the organic layers were combined and dried with anhydrous sodium sulfate. The ethyl acetate was removed by concentration under reduced pressure to afford the target product 4-bromo-1H-imidazole (20.5 g, 89% yield). | [References]
[1] Patent: CN106256830, 2016, A. Location in patent: Paragraph 0044; 0052; 0053; 0054
[2] Journal of the Chemical Society, 1922, vol. 121, p. 952
[3] Journal of the American Chemical Society, 2001, vol. 123, # 49, p. 12147 - 12151 |
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