4-broMo-1-Methyl-1H-pyraz...
4-Bromo-1-methylpyrazole
CAS: 15803-02-8
Molecular Formula: C4H5BrN2
4-broMo-1-Methyl-1H-pyraz... - Names and Identifiers
| Name | 4-Bromo-1-methylpyrazole |
| Synonyms | 4-Bromo-1-methylpyrazole 1-methyl-4-bromo pyrazole cyclopent-1-enecarbaldehyde 4-broMo-1-Methyl-1H-pyraz... 4-BROMO-1-METHYL-1H-PYRAZOLE 1-Mehtyl-4-Bromo-1H-Pyrazole 1-Methyl-4-bromo-1H-pyrazole |
| CAS | 15803-02-8 |
| EINECS | 605-126-5 |
| InChI | InChI=1/C4H5BrN2/c1-7-3-4(5)2-6-7/h2-3H,1H3 |
4-broMo-1-Methyl-1H-pyraz... - Physico-chemical Properties
| Molecular Formula | C4H5BrN2 |
| Molar Mass | 161 |
| Density | 1.558 |
| Boling Point | 185-188°C |
| Flash Point | 93°C |
| Vapor Presure | 0.543mmHg at 25°C |
| Appearance | Liquid |
| Color | Colorless to pale yellow |
| pKa | 0.21±0.10(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | n20/D 1.531 |
4-broMo-1-Methyl-1H-pyraz... - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | R37/38 - Irritating to respiratory system and skin. R41 - Risk of serious damage to eyes |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S39 - Wear eye / face protection. |
| UN IDs | UN1760 |
| WGK Germany | 3 |
| HS Code | 29331990 |
| Hazard Class | IRRITANT |
4-broMo-1-Methyl-1H-pyraz... - Reference Information
| introduction | 1-methyl-4-bromopyrazole has a colorless or light yellow liquid appearance at normal temperature and pressure, and can be used as an organic synthesis intermediate. It has good solubility in common organic solvents such as ethyl acetate, dichloromethane, dimethyl sulfoxide, N,N-dimethylformamide, and poor solubility in water. |
| Use | 1-methyl-4-bromopyrazole is a common organic synthesis intermediate. The bromine atom in the structure can be introduced into a boron unit through the borylation reaction. Then use the diverse reactivity of the boron unit to carry out the product derivatization and corresponding conversion; in addition, the bromine atom itself can also directly participate in the Suzuki coupling, connect an aryl group to the skeleton of pyrazole. |
| synthesis method | for the synthesis of 1-methyl-4-bromopyrazole, the conventional synthesis method starts from 1-methylpyrazole, and the target product can be obtained by brominating the carbon atom at position 4 in pyrazole using NBS under the condition of water as a solvent. The synthetic route is quick and simple, with high yield and convenient post-processing. It is worth noting that the boiling point of the compound is not high, and attention should be paid to low-temperature concentration during post-treatment. In addition, liquid bromine and hydrobromic acid aqueous solution are also used as the synthesis method of brominating reagents. |
| environmental hazards | 1-methyl -4-bromopyrazole, as a nitrogen-containing organic alkali compound, is more harmful to the water environment. undiluted or a large number of products should not be allowed to contact groundwater, waterways or sewage systems. |
Last Update：2024-04-09 20:02:46
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