- InChI
- InChI=1S/C3H3BrN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)
- InChI Key
- WVGCPEDBFHEHEZ-UHFFFAOYSA-N
- Formula
- C3H3BrN2
- SMILES
- Brc1cn[nH]c1
- Molecular Weight1
- 146.97
- CAS
- 2075-45-8
- Other Names
-
- 4-Brompyrazole
- 4-bromo-1H-pyrazole
- 4-bromopyrazole
- Pyrazole, 4-bromo-
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -1.62 | Crippen Calculated Property | |
| logPoct/wat | 0.690 | Crippen Calculated Property | |
| McVol | 71.130 | ml/mol | McGowan Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Pyrazole, 4-bromo-.
Mixtures
- Methyl Alcohol + Water + 1H-Pyrazole, 4-bromo-
- Ethanol + Water + 1H-Pyrazole, 4-bromo-
- Water + 1H-Pyrazole, 4-bromo-
- Methyl Alcohol + 1H-Pyrazole, 4-bromo-
- Ethanol + 1H-Pyrazole, 4-bromo-
Sources
- Crippen Method
- Crippen Method
- Solubility, solution thermodynamics and preferential solvation for 4- bromopyrazole in mixed solvents of (methanol/ethanol + water) from T = (283.15 to 318.15) K
- McGowan Method
- NIST Webbook
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