Description

1-(2-nitrobenzyl)-1H-pyrrole-2-carbaldehyde (CAS No. 22162-51-2) is a high-purity organic compound with the molecular formula C₁₂H₁₀N₂O₃. This specialized chemical features a nitrobenzyl group attached to a pyrrole-carbaldehyde scaffold, making it a valuable intermediate in synthetic organic chemistry and pharmaceutical research. Our product is rigorously tested to ensure ≥95% purity (HPLC/GC) and is supplied as a fine crystalline powder or solution, depending on customer requirements. Suitable for use in nucleophilic reactions, cross-coupling chemistry, and as a precursor for heterocyclic compound synthesis. Each batch includes comprehensive analytical documentation (NMR, MS, FTIR) to guarantee traceability and reproducibility for your research applications.

Properties

• CAS Number: 22162-51-2
• Complexity: 290
• IUPAC Name: 1-[(2-nitrophenyl)methyl]pyrrole-2-carbaldehyde
• InChI: InChI=1S/C12H10N2O3/c15-9-11-5-3-7-13(11)8-10-4-1-2-6-12(10)14(16)17/h1-7,9H,8H2
• InChI Key: AKFAPUIPEQSHJL-UHFFFAOYSA-N
• Exact Mass: 230.06914219
• Molecular Formula: C12H10N2O3
• Molecular Weight: 230.22
• SMILES: C1=CC=C(C(=C1)CN2C=CC=C2C=O)[N+](=O)[O-]
• Topological: 67.8
• Monoisotopic Mass: 230.06914219
• Synonyms: 22162-51-2, 1-(2-nitrobenzyl)-1H-pyrrole-2-carbaldehyde, DTXSID10352966, DTXCID00304030, 627-076-3, 1-(2-Nitrophenylmethyl)-2-pyrrolecarboxaldehyde, 1-[(2-nitrophenyl)methyl]pyrrole-2-carbaldehyde, 1-(2-NITROBENZYL)PYRROLE-2-CARBOXALDEHYDE, 1-(2-Nitrophenylmethyl)-2-pyrrolecarboxaldehydye, MFCD00792865, 1-(2-nitrobenzyl)-2-pyrrolecarboxaldehyde, Cambridge id 6953107, MLS000677165, SCHEMBL3686189, CHEMBL1529112, AKFAPUIPEQSHJL-UHFFFAOYSA-N, HMS2615D10, BBL015256, SBB057925, STK320347, AKOS000411370, SB62513, SMR000270992, DB-018459, CS-0316333, ST50827728, 5W-0849, 1-[(2-nitrophenyl)methyl]-1H-pyrrole-2-carbaldehyde

This compound serves as a versatile building block in medicinal chemistry, particularly for developing novel heterocyclic frameworks with potential biological activity. Researchers utilize it in the synthesis of enzyme inhibitors and receptor modulators due to its reactive aldehyde functionality. It also finds application in materials science as a precursor for photo-responsive molecules and coordination polymers. The nitro group enables further functionalization via reduction or nucleophilic aromatic substitution.

Safety and Hazards

GHS Hazard Statements

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

Precautionary Statements

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

Hazard Classes and Categories

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

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