Description

2,5-Dichloro-4,6-dimethylpyridine-3-carbonitrile (CAS No. 91591-63-8) is a high-purity, halogenated pyridine derivative with the molecular formula C₈H₆Cl₂N₂. This specialized organic compound features a dichloro-substituted pyridine core with methyl and cyano functional groups, making it a versatile intermediate for pharmaceutical, agrochemical, and materials science research. With a molecular weight of 201.05 g/mol, this crystalline solid is rigorously tested for quality (typically ≥95% purity by HPLC) and is supplied in sealed, light-resistant packaging to ensure stability. Its unique structure enables applications in heterocyclic synthesis, ligand design, and as a building block for bioactive molecules. Suitable for use in cross-coupling reactions, nucleophilic substitutions, and other fine chemical transformations under controlled conditions.

Properties

• CAS Number: 91591-63-8
• Complexity: 210
• IUPAC Name: 2,5-dichloro-4,6-dimethyl-pyridine-3-carbonitrile
• InChI: InChI=1S/C8H6Cl2N2/c1-4-6(3-11)8(10)12-5(2)7(4)9/h1-2H3
• InChI Key: UCGWYTUBYASPFG-UHFFFAOYSA-N
• Exact Mass: 199.9908036
• Molecular Formula: C8H6Cl2N2
• Molecular Weight: 201.05
• SMILES: CC1=C(C(=NC(=C1Cl)C)Cl)C#N
• Topological: 36.7
• Monoisotopic Mass: 199.9908036
• Synonyms: 2,5-dichloro-4,6-dimethylpyridine-3-carbonitrile, 639-346-8, 2,5-Dichloro-4,6-dimethylnicotinonitrile, 91591-63-8, 2,5-Dichloro-4,6-dimethyl-3-pyridinecarbonitrile, 3-Pyridinecarbonitrile, 2,5-dichloro-4,6-dimethyl-, MFCD00052631, 2,5-dichloro-3-cyano-4,6-dimethylpyridine, NSC-341973, 3-Cyano-2,5-dichloro-4,6-dimethylpyridine, NSC341973, NL7PQ926CN, SCHEMBL8471830, DTXSID50319215, BCP18750, SBB092706, STK724629, AKOS001751894, GS-3527, NSC 341973, SY017930, 2,5-dichloro-4,6-dimethyl-nicotinonitrile, ST4064981, CS-0010501, 3-Pyridinecarbonitrile,5-dichloro-4,6-dimethyl-, AG-205/41147734, SR-01000533931, 3-Pyridinecarbonitrile,2,5-dichloro-4,6-dimethyl-, SR-01000533931-1, F3122-0049, 2 pound not5-Dichloro-4 pound not6-dimethylnicotinonitrile

Application

2,5-Dichloro-4,6-dimethylpyridine-3-carbonitrile serves as a key intermediate in the synthesis of advanced pharmaceutical compounds, particularly in the development of kinase inhibitors and antimicrobial agents. Its reactive sites allow for selective functionalization, enabling researchers to construct complex heterocyclic frameworks. The compound is also employed in agrochemical research for designing novel pesticides and herbicides due to its halogenated pyridine backbone. Additionally, it finds use in materials science as a precursor for functionalized polymers and coordination complexes.

Safety and Hazards

GHS Hazard Statements

• H302 (13.2%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (13.2%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (13.2%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (13.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (13.2%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (13.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H411 (84.2%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (13.2%)
• Acute Tox. 4 (13.2%)
• Skin Irrit. 2 (13.2%)
• Eye Irrit. 2A (13.2%)
• Acute Tox. 4 (13.2%)
• STOT SE 3 (13.2%)
• Aquatic Chronic 2 (84.2%)

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