| Identification | More | [Name]
4-Bromo-1-methylpyrazole | [CAS]
15803-02-8 | [Synonyms]
4-BROMO-1-METHYL-1H-PYRAZOLE
4-Bromo-1-methylpyrazole
1-Mehtyl-4-Bromo-1H-Pyrazole
1-Methyl-4-bromo-1H-pyrazole | [EINECS(EC#)]
605-126-5 | [Molecular Formula]
C4H5BrN2 | [MDL Number]
MFCD02179565 | [Molecular Weight]
161 | [MOL File]
15803-02-8.mol |
| Chemical Properties | Back Directory | [Boiling point ]
185-188°C | [density ]
1.558 | [refractive index ]
n20/D 1.531 | [Fp ]
93°C | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
Liquid | [pka]
0.21±0.10(Predicted) | [color ]
Colorless to pale yellow | [InChI]
InChI=1S/C4H5BrN2/c1-7-3-4(5)2-6-7/h2-3H,1H3 | [InChIKey]
IXJSDKIJPVSPKF-UHFFFAOYSA-N | [SMILES]
N1(C)C=C(Br)C=N1 | [CAS DataBase Reference]
15803-02-8(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection . | [RIDADR ]
UN1760 | [WGK Germany ]
3 | [HazardClass ]
IRRITANT | [HS Code ]
29331990 |
| Hazard Information | Back Directory | [Uses]
4-Bromo-1-methylpyrazole is a colourless or light yellow liquid at room temperature and pressure. It can be used as an intermediate in organic synthesis. It has good solubility in common organic solvents such as ethyl acetate, dichloromethane, dimethyl sulfoxide, and N, N-dimethylformamide but poor solubility in water. | [Synthesis]
The conventional synthesis method of 4-Bromo-1-methylpyrazole starts from methyl pyrazole and uses NBS to brominate the carbon atom at position 4 in pyrazole using water as a solvent to obtain the target product. This synthetic route is fast and simple, with high yield and convenient post-processing. It is worth noting that the boiling point of this compound is not high, and low-temperature concentration should be paid attention to during post-processing. In addition, there is also a synthetic method using liquid bromine and hydrobromic acid aqueous solution as bromination reagents. |
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