Description

Dimethyl nitroterephthalate (CAS No. 5292-45-5) is a high-purity organic compound with the molecular formula C₁₀H₉NO₆. This nitro-substituted terephthalate ester is widely utilized in advanced chemical synthesis and material science research. The compound features a benzene ring core with two methyl ester groups at the 1- and 4-positions and a nitro group at the 2-position, offering versatile reactivity for further derivatization. Suitable for use as an intermediate in pharmaceuticals, agrochemicals, and specialty polymers, our product is rigorously tested to ensure ≥98% purity (HPLC) and optimal batch-to-batch consistency. Packaged under inert conditions to guarantee stability, it is ideal for sensitive applications requiring precise molecular building blocks.

Properties

• CAS Number: 5292-45-5
• Complexity: 323
• IUPAC Name: dimethyl 2-nitrobenzene-1,4-dicarboxylate
• InChI: InChI=1S/C10H9NO6/c1-16-9(12)6-3-4-7(10(13)17-2)8(5-6)11(14)15/h3-5H,1-2H3
• InChI Key: PAYWCKGMOYQZAW-UHFFFAOYSA-N
• Exact Mass: 239.04298701
• Molecular Formula: C10H9NO6
• Molecular Weight: 239.18
• SMILES: COC(=O)C1=CC(=C(C=C1)C(=O)OC)[N+](=O)[O-]
• Topological: 98.4
• Monoisotopic Mass: 239.04298701
• Synonyms: Dimethyl 2-nitroterephthalate, Dimethyl nitroterephthalate, 5292-45-5, Terephthalic acid, nitro-, dimethyl ester, 1,4-Benzenedicarboxylic acid, 2-nitro-, dimethyl ester, NSC 5056, EINECS 226-134-1, 59QLU09DZ4, NSC-5056, 1,4-Benzenedicarboxylic acid, 2-nitro-, 1,4-dimethyl ester, DTXSID5022223, EC 226-134-1, DIMETHYL 2-NITRO-1,4-BENZENEDICARBOXYLATE, DTXCID402223, 226-134-1, Dimethyl 2-nitrobenzene-1,4-dicarboxylate, MFCD00008422, Nitroterephthalic acid dimethyl ester, Dimethyl2-nitroterephthalate, UNII-59QLU09DZ4, di-methyl nitroterephthalate, Dimethyl Nitroterephthalate, SCHEMBL559830, 1, 2-nitro-, dimethyl ester, NSC5056, ALBB-019838, AKOS000264989, CS-W014660, SY038228, dimethyl 1-nitrobenzene-2,5-dicarboxylate, methyl 4-(methoxycarbonyl)-2-nitrobenzoate, N0501, NS00001909, ST50308295, D77771, Q27261712

Application

Dimethyl nitroterephthalate serves as a key intermediate in the synthesis of fine chemicals, including dyes, liquid crystals, and pharmaceutical precursors. Its nitro and ester functionalities enable participation in nucleophilic aromatic substitution and condensation reactions. Researchers also employ it in polymer modification studies to introduce nitro-aromatic motifs for enhanced material properties. The compound is particularly valuable in developing photoactive materials due to its electron-withdrawing nitro group.

Safety and Hazards

GHS Hazard Statements

• H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H401 (25%): Toxic to aquatic life [Hazardous to the aquatic environment, acute hazard]
• H411 (25%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

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

Hazard Classes and Categories

• Skin Irrit. 2 (50%)
• Eye Irrit. 2 (50%)
• STOT SE 3 (50%)
• Aquatic Acute 2 (25%)
• Aquatic Chronic 2 (25%)

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