Description

4-Bromopyrazole (CAS No. 2075-45-8) is a high-purity heterocyclic organic compound with the molecular formula C₃H₃BrN₂. This versatile brominated pyrazole derivative serves as a critical building block in pharmaceutical, agrochemical, and material science research. Its reactive bromine moiety enables facile functionalization via cross-coupling reactions, making it invaluable for synthesizing novel drug candidates and specialty chemicals.

Our premium-grade 4-Bromopyrazole (≥99% purity by HPLC) is rigorously tested to meet analytical standards, with batch-specific certificates of analysis available. Supplied as white to off-white crystalline powder in amber glass vials under inert atmosphere to ensure stability. Suitable for nucleophilic substitution, Suzuki couplings, and as a precursor for N-heterocyclic carbene ligands.

Key applications include:

• Pharmaceutical intermediate for kinase inhibitors
• Ligand synthesis in coordination chemistry
• Building block for crop protection agents
• Material science applications

Storage: Maintain at 2-8°C in dry conditions. Compatible with standard organic solvents including DMF, DMSO, and dichloromethane. Hazard statements apply – consult SDS before use.

Properties

• CAS Number: 2075-45-8
• Complexity: 48.1
• IUPAC Name: 4-bromo-1H-pyrazole
• InChI: InChI=1S/C3H3BrN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)
• InChI Key: WVGCPEDBFHEHEZ-UHFFFAOYSA-N
• Exact Mass: 145.94796
• Molecular Formula: C3H3BrN2
• Molecular Weight: 146.97
• SMILES: C1=C(C=NN1)Br
• Topological: 28.7
• Monoisotopic Mass: 145.94796
• Synonyms: 4-Bromopyrazole, 2075-45-8, 1H-Pyrazole, 4-bromo-, PYRAZOLE, 4-BROMO-, 4-Brompyrazole, NSC 522023, BRN 0106510, DTXSID50174826, 5-23-04-00172 (Beilstein Handbook Reference), DTXCID1097317, 1H-Pyrazole, 4-bromo-(9CI), wvgcpedbfhehez-uhfffaoysa-n, 4-Bromo-1H-pyrazole, MFCD00075602, CHEMBL4440111, 4-bromo-pyrazole, NSC-522023, 4-Bromopyrazole; NSC 522023, 4-bromo pyrazole, BYZ, JCB5VB9RTA, 4-Bromo-1-H-pyrazole, 4-Bromopyrazole, 99%, WLN: T5MNJ DE, SCHEMBL10169, SCHEMBL357307, SCHEMBL1261053, SCHEMBL2042729, ALBB-000287, BDBM50622824, NSC522023, SBB000097, STK301300, AKOS000304500, AB02892, AC-2709, AS-5543, CS-W009265, BP-21496, HY-78243, ST005616, SY002635, DB-262940, B3745, EN300-50991, AC-907/25014004, AE-641/00649055, Q27458577, F0001-0740, Z275169750

4-Bromopyrazole is primarily employed as a versatile synthetic intermediate in medicinal chemistry, particularly for constructing pyrazole-based pharmacophores in drug discovery programs. The bromine atom facilitates palladium-catalyzed cross-coupling reactions to create diverse biaryl structures. Researchers utilize this compound as a precursor for N-heterocyclic carbene complexes in catalytic systems and as a key building block for agrochemical development. Its reactivity profile makes it valuable for constructing heterocyclic scaffolds in material science applications.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (98%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.