Description

1,5-Dimethylpyrrole-2-carbonitrile (CAS No. 56341-36-7) is a high-purity organic compound with the molecular formula C₇H₈N₂. This heterocyclic nitrile derivative features a pyrrole ring substituted with methyl groups at the 1 and 5 positions and a cyano functional group at the 2 position. It is a valuable intermediate in synthetic organic chemistry, particularly in the development of pharmaceuticals, agrochemicals, and advanced materials. With a molecular weight of 120.15 g/mol, this compound is characterized by its stability and reactivity, making it suitable for nucleophilic substitution reactions, cyclizations, and as a precursor for complex heterocyclic systems. Available in >95% purity (HPLC), it is supplied as a crystalline solid with strict quality control to ensure consistency for research and industrial applications. Store in a cool, dry place under inert conditions to maintain stability.

Properties

• CAS Number: 56341-36-7
• Complexity: 144
• IUPAC Name: 1,5-dimethylpyrrole-2-carbonitrile
• InChI: InChI=1S/C7H8N2/c1-6-3-4-7(5-8)9(6)2/h3-4H,1-2H3
• InChI Key: DRXOPQFEWDRGKT-UHFFFAOYSA-N
• Exact Mass: 120.068748264
• Molecular Formula: C7H8N2
• Molecular Weight: 120.15
• SMILES: CC1=CC=C(N1C)C#N
• Topological: 28.7
• Monoisotopic Mass: 120.068748264
• Synonyms: 56341-36-7, 1,5-Dimethylpyrrole-2-carbonitrile, EINECS 260-120-6, DTXSID40204883, DTXCID70127374, 260-120-6, 1,5-Dimethyl-1H-pyrrole-2-carbonitrile, 1,5-Dimethyl-2-pyrrolecarbonitrile, 2-Cyano-1,5-dimethylpyrrole, 1H-Pyrrole-2-carbonitrile, 1,5-dimethyl-, MFCD00003086, 2cyano-1,5-dimethylpyrrol, 2-cyano-1,5-dimethylpyrrol, 1,5-dimethyl-2-cyanopyrrole, SCHEMBL2955486, SCHEMBL16412018, CHEBI:194747, ALBB-021278, SBB007580, STL195593, AKOS000120935, AT16178, FD58700, SB62596, LS-06424, 1,5-Dimethyl-2-pyrrolecarbonitrile, 99%, 1,5-Dimethyl-1H-pyrrole-2-carbonitrile #, DB-025549, CS-0179409, NS00033504, 1,5-DIMETHYL-1H-PYRROL-2-YL CYANIDE, EN300-20539, 1,5-Dimethyl-2-pyrrolecarbonitrile;5-Cyano-1,2-dimethylpyrrole, InChI=1/C7H8N2/c1-6-3-4-7(5-8)9(6)2/h3-4H,1-2H

Application

1,5-Dimethylpyrrole-2-carbonitrile is widely used as a building block in the synthesis of pharmaceuticals, particularly for developing pyrrole-based drug candidates with potential antimicrobial or anti-inflammatory properties. It serves as a key intermediate in organic synthesis, enabling the construction of complex heterocyclic frameworks for agrochemicals and functional materials. Researchers also utilize this compound in coordination chemistry to create ligands for catalytic systems.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

Precautionary Statements

• P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Acute Tox. 4 (100%)
• Acute Tox. 4 (100%)

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