Description

4-Bromo-2,5-dimethylpyridine (CAS No. 17117-23-6) is a high-purity brominated pyridine derivative with the molecular formula C₇H₈BrN. This heterocyclic organic compound is a valuable building block in pharmaceutical, agrochemical, and material science research. The presence of both bromine and methyl substituents on the pyridine ring makes it a versatile intermediate for cross-coupling reactions, nucleophilic substitutions, and other functional group transformations.

Our product is synthesized under strict quality control measures to ensure >98% purity (HPLC/GC), with rigorous testing for impurities and residual solvents. It is supplied as a white to off-white crystalline solid, stable under recommended storage conditions (2-8°C in a tightly sealed container under inert atmosphere). Suitable for use in medicinal chemistry, ligand synthesis, and as a precursor for advanced materials.

Key specifications:

• Molecular Weight: 186.05 g/mol
• Melting Point: 45-48°C
• Boiling Point: 230-232°C
• Density: 1.45 g/cm³
• Refractive Index: n_D²⁰ 1.556

Properties

• CAS Number: 17117-23-6
• Complexity: 94.9
• IUPAC Name: 4-bromo-2,5-dimethyl-pyridine
• InChI: InChI=1S/C7H8BrN/c1-5-4-9-6(2)3-7(5)8/h3-4H,1-2H3
• InChI Key: CGPIONYVXKQZPW-UHFFFAOYSA-N
• Exact Mass: 184.98401
• Molecular Formula: C7H8BrN
• Molecular Weight: 186.05
• SMILES: CC1=CC(=C(C=N1)C)Br
• Topological: 12.9
• Monoisotopic Mass: 184.98401
• Synonyms: 4-Bromo-2,5-dimethylpyridine, 17117-23-6, DTXSID20624686, DTXCID90575439, 854-290-6, MFCD00234307, 2,5-dimethyl-4-bromopyridine, 4-bromo-2,5-dimethyl-pyridine, SCHEMBL537945, CGPIONYVXKQZPW-UHFFFAOYSA-N, SAA11723, AKOS016005737, 4-Bromo-2 pound not5-dimethylpyridine, AB05202, CS-W022092, DA-39962, DS-14669, SY111737, N13082, EN300-1087088

Application

4-Bromo-2,5-dimethylpyridine serves as a key intermediate in Suzuki-Miyaura and Buchwald-Hartwig coupling reactions for pharmaceutical synthesis. Researchers utilize this compound in the development of kinase inhibitors and receptor modulators due to its privileged pyridine scaffold. The bromine substituent enables efficient palladium-catalyzed cross-coupling reactions, while the methyl groups provide steric and electronic modulation for structure-activity relationship studies.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (100%)

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