| Identification | More | [Name]
4-Bromopyrazole | [CAS]
2075-45-8 | [Synonyms]
4-BROMO-1H-PYRAZOLE
4-BROMOPYRAZOLE
AKOS B001462
4-bromo-pyrazol
4-Brompyrazole
Pyrazole, 4-bromo-
93℃-96℃ | [Molecular Formula]
C3H3BrN2 | [MDL Number]
MFCD00075602 | [Molecular Weight]
146.97 | [MOL File]
2075-45-8.mol |
| Chemical Properties | Back Directory | [Appearance]
White to cream crystalline powder | [Melting point ]
93-96 °C (lit.) | [Boiling point ]
250-260 °C (lit.) | [density ]
1.5979 (rough estimate) | [refractive index ]
1.5260 (estimate) | [storage temp. ]
Inert atmosphere,Room Temperature | [solubility ]
Chloroform, DMSO, Methanol | [form ]
Crystalline Powder | [pka]
12.71±0.50(Predicted) | [color ]
White to cream | [Water Solubility ]
Slightly soluble in water. | [InChI]
InChI=1S/C3H3BrN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6) | [InChIKey]
FHZALEJIENDROK-UHFFFAOYSA-N | [SMILES]
N1C=C(Br)C=N1 | [CAS DataBase Reference]
2075-45-8(CAS DataBase Reference) | [NIST Chemistry Reference]
1H-pyrazole, 4-bromo-(2075-45-8) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
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 .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [RTECS ]
UQ6200000
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29331990 |
| Hazard Information | Back Directory | [Chemical Properties]
White to cream crystalline powder | [Uses]
4-Bromopyrazole can be used as starting material employed in a synthesis of 1,4′-bipyrazoles and in suzuki reaction.
| [Uses]
As a mono substituted pyrozole, 4-Bromopyrazole can be used as Inhibitor of human liver alcohol dehydrogenase and used in mutagenicity study with the L-arabinose resistance test of Salmonella typhimurium.
| [Uses]
suzuki reaction | [General Description]
4-Bromopyrazole is a pyrazole derivative. It is reported to react with titanium tetrachloride to afford binary adducts. Mutagenicity of 4-bromopyrazole has been tested using the L-arabinose forward mutation assay of Salmonella typhimurium. It is reported to inhibit the oxidative phosphorylation, the ATP-32P exchange reaction, and energy dependent and independent calcium uptake. | [References]
[1] Saied M. Soliman, Ahmed M.A. Badr. “Synthesis, structure and Hirshfeld analysis of the potent antimicrobial [Ag(4-bromopyrazole)2ClO4] complex.” Polyhedron 171 (2019): Pages 323-329.
[2] Shaoling Wang , Hongkun Zhao, Cunbin Du . “Solubility, solution thermodynamics and preferential solvation for 4-bromopyrazole in mixed solvents of (methanol/ethanol+ water) from T = (283.15 to 318.15) K.” Journal of Chemical Thermodynamics 112 (2017): Pages 146-154.
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