CAS 1206969-04-1

4-Bromo-5-(3-isocyanatophenyl)-1-methyl-1H-pyrazole

Description:

4-Bromo-5-(3-isocyanatophenyl)-1-methyl-1H-pyrazole is a chemical compound characterized by its unique structure, which includes a pyrazole ring substituted with a bromine atom and an isocyanate group. The presence of the isocyanate functional group indicates potential reactivity, particularly in forming urea derivatives or participating in nucleophilic addition reactions. This compound is likely to exhibit moderate to high polarity due to the presence of both the isocyanate and bromine substituents, which can influence its solubility in various solvents. Additionally, the pyrazole moiety is known for its biological activity, making this compound of interest in medicinal chemistry and material science. Its molecular structure suggests potential applications in agrochemicals or pharmaceuticals, particularly in the development of new compounds with specific biological activities. Safety considerations should be taken into account due to the reactivity of the isocyanate group, which can be hazardous upon exposure. Overall, 4-Bromo-5-(3-isocyanatophenyl)-1-methyl-1H-pyrazole presents a fascinating subject for further research and application in various chemical fields.

Formula: C₁₁H₈BrN₃O

InChI: InChI=1S/C11H8BrN3O/c1-15-11(10(12)6-14-15)8-3-2-4-9(5-8)13-7-16/h2-6H,1H3

InChI key: InChIKey=AWGHDXMFEJGUKH-UHFFFAOYSA-N

SMILES: BrC1=C(C2=CC(N=C=O)=CC=C2)N(C)N=C1

Synonyms:

• 1H-Pyrazole, 4-bromo-5-(3-isocyanatophenyl)-1-methyl-
• 4-Bromo-5-(3-isocyanatophenyl)-1-methyl-1H-pyrazole

4-Bromo-5-(3-isocyanatophenyl)-1-methyl-1H-pyrazole

CAS: 1206969-04-1

4-Bromo-5-(3-isocyanatophenyl)-1-methyl-1H-pyrazole

Molecular weight: 278.10g/mol

Ref: 54-OR322836