Description

1,2-Benzenedicarboxylic acid, 4-nitro-, 1,2-dimethyl ester (CAS No. 610-22-0) is a high-purity nitro-substituted phthalate ester with the molecular formula C₁₀H₉NO₆. This specialized organic compound is widely utilized in chemical synthesis, pharmaceutical research, and material science due to its unique nitro-functionalized aromatic structure. With a purity of ≥98%, it is ideal for applications requiring precise reactivity and stability. The compound is supplied as a fine crystalline powder or solution, ensuring compatibility with laboratory protocols. Store in a cool, dry place away from light and moisture to maintain integrity. Suitable for researchers and industrial scientists seeking advanced intermediates for complex reactions.

Properties

• CAS Number: 610-22-0
• Complexity: 323
• IUPAC Name: dimethyl 4-nitrobenzene-1,2-dicarboxylate
• InChI: InChI=1S/C10H9NO6/c1-16-9(12)7-4-3-6(11(14)15)5-8(7)10(13)17-2/h3-5H,1-2H3
• InChI Key: XWBDWELWBUWSNI-UHFFFAOYSA-N
• Exact Mass: 239.04298701
• Molecular Formula: C10H9NO6
• Molecular Weight: 239.18
• SMILES: COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC
• Topological: 98.4
• Monoisotopic Mass: 239.04298701
• Synonyms: Dimethyl 4-nitrophthalate, 610-22-0, 4-nitrophthalic acid dimethyl ester, Phthalic acid, 4-nitro-, dimethyl ester, NSC 9410, EINECS 210-212-7, AI3-09347, 1,2-Benzenedicarboxylic acid, 4-nitro-, 1,2-dimethyl ester, 210-212-7, Dimethyl4-nitrophthalate, 1,2-Dimethyl 4-nitrophthalate, 1,2-Benzenedicarboxylic acid, 4-nitro-, dimethyl ester, dimethyl 4-nitrobenzene-1,2-dicarboxylate, Dimethyl-4-nitrophthalate, MFCD00017191, 1,2-dimethyl 4-nitrobenzene-1,2-dicarboxylate, 1, 4-nitro-, dimethyl ester, SCHEMBL1403472, DTXSID4060579, Dimethyl 4-nitrophthalate, 98%, NSC9410, 4-nitrophthalic acid dimethyl-ester, NSC-9410, SBB064153, STK731777, 4-Nitro phthalic acid, dimethyl ester, 4-Nitro-phthalic acid, dimethyl ester, AKOS005216319, AC-4831, CS-W010294, FD70321, AS-14716, SY020878, dimethyl 4-nitro-1,2-benzenedicarboxylate, DB-053772, methyl 2-(methoxycarbonyl)-4-nitrobenzoate, methyl 2-(methoxycarbonyl)-5-nitrobenzoate, D4424, NS00034529, ST50319562, F14849, 4-Nitrophthalic acid, bis-methyl ester 100 microg/mL in Hexane

This nitro-substituted phthalate ester serves as a versatile intermediate in organic synthesis, particularly in the preparation of dyes, pigments, and pharmaceutical precursors. Its nitro group enhances electrophilic reactivity, making it valuable for aromatic substitution reactions. Researchers employ it in polymer modification studies due to its ability to act as a crosslinking agent. Additionally, it finds use in analytical chemistry as a reference standard for chromatographic methods.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

Precautionary Statements

• P264, P270, P301+P317, P330, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)

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