Description

5-Hydroxy-2-nitrobenzaldehyde (CAS No. 42454-06-8) is a high-purity aromatic aldehyde compound with the molecular formula C₇H₅NO₄. This yellow to orange crystalline powder is a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty dyes. Its unique structure, featuring both a hydroxyl and nitro group ortho to the formyl moiety, makes it a versatile building block for heterocyclic chemistry and metal complexation studies. With a molecular weight of 167.12 g/mol, this compound is soluble in common organic solvents such as ethanol, DMSO, and acetone but exhibits limited solubility in water. Our product is rigorously tested to ensure ≥98% purity (HPLC) and is supplied with comprehensive analytical data including ¹H NMR and FT-IR spectra. Proper storage at 2-8°C in a tightly sealed container is recommended to maintain stability.

Properties

• CAS Number: 42454-06-8
• Complexity: 188
• IUPAC Name: 5-hydroxy-2-nitro-benzaldehyde
• InChI: InChI=1S/C7H5NO4/c9-4-5-3-6(10)1-2-7(5)8(11)12/h1-4,10H
• InChI Key: XLYPHUGUKGMURE-UHFFFAOYSA-N
• Exact Mass: 167.02185764
• Molecular Formula: C7H5NO4
• Molecular Weight: 167.12
• SMILES: C1=CC(=C(C=C1O)C=O)[N+](=O)[O-]
• Topological: 83.1
• Monoisotopic Mass: 167.02185764
• Synonyms: 5-Hydroxy-2-nitrobenzaldehyde, 42454-06-8, 3-Formyl-4-nitrophenol, 6-Nitro-3-hydroxybenzaldehyde, 2-Nitro-5-hydroxybenzaldehyde, 5-hydroxy-2-nitro-benzaldehyde, BENZALDEHYDE, 5-HYDROXY-2-NITRO-, EINECS 255-832-9, UNII-VA926Z93IF, NSC 93899, 3-hydroxy-6-nitrobenzaldehyde, BRN 1910196, VA926Z93IF, NSC-93899, DTXSID8022290, 4-08-00-00250 (Beilstein Handbook Reference), DTXCID302290, 255-832-9, inchi=1/c7h5no4/c9-4-5-3-6(10)1-2-7(5)8(11)12/h1-4,10, xlyphugukgmure-uhfffaoysa-n, MFCD00007332, 2-Nitro-5-hydroxybenzaldehyde; 3-Formyl-4-nitrophenol; 3-Hydroxy-6-nitrobenzaldehyde, NSC93899, SCHEMBL1014901, SCHEMBL28102786, BBL104268, SBB063278, STL558475, 5-Hydroxy-2-nitrobenzaldehyde, 98%, AKOS000103913, AC-5095, CS-W001068, FH70672, PS-3960, SY020977, DB-012656, H1039, NS00031185, ST50826735, EN300-91728, 10.14272/XLYPHUGUKGMURE-UHFFFAOYSA-N.1, doi:10.14272/XLYPHUGUKGMURE-UHFFFAOYSA-N.1, Q27291725, Z1255390569, 5-Hydroxy-2-nitrobenzaldehyde, purum, >=98.0% (HPLC)

Application

5-Hydroxy-2-nitrobenzaldehyde serves as a key precursor in the synthesis of benzimidazole derivatives with potential pharmaceutical applications. Researchers utilize this compound in the development of novel Schiff base ligands for transition metal catalysis. The orthogonal reactivity of its functional groups makes it particularly valuable in multi-step synthetic routes for complex organic molecules. In material science, it finds application as a monomer for designing nitro-functionalized polymers with unique electronic properties.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (95.7%): 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 (97.9%)
• STOT SE 3 (95.7%)

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