Description

2-Methoxy-1-methyl-4-nitrobenzene (CAS No. 13120-77-9) is a high-purity nitroaromatic compound with the molecular formula C₈H₉NO₃. This yellow crystalline solid is widely utilized in organic synthesis and pharmaceutical research due to its reactive nitro and methoxy functional groups. With a molecular weight of 167.16 g/mol, it exhibits excellent solubility in organic solvents such as ethanol, acetone, and dichloromethane. Ideal for use as an intermediate in the synthesis of dyes, agrochemicals, and specialty chemicals, this compound is rigorously tested for quality (typically ≥97% purity by GC/HPLC). Proper storage conditions (2-8°C in a tightly sealed container) ensure long-term stability. Available in research quantities (100mg to 10kg) with optional custom packaging.

Properties

• CAS Number: 13120-77-9
• Complexity: 166
• IUPAC Name: 2-methoxy-1-methyl-4-nitro-benzene
• InChI: InChI=1S/C8H9NO3/c1-6-3-4-7(9(10)11)5-8(6)12-2/h3-5H,1-2H3
• InChI Key: WVQGZNRUEVFXKR-UHFFFAOYSA-N
• Exact Mass: 167.058243149
• Molecular Formula: C8H9NO3
• Molecular Weight: 167.16
• SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])OC
• Topological: 55.1
• Monoisotopic Mass: 167.058243149
• Synonyms: 13120-77-9, 2-methoxy-1-methyl-4-nitrobenzene, Benzene, 2-methoxy-1-methyl-4-nitro-, Anisole, 2-methyl-5-nitro-, Methyl 5-nitro-o-tolyl ether, EINECS 236-048-6, NSC 25213, DTXSID5065356, DTXCID8034033, 236-048-6, inchi=1/c8h9no3/c1-6-3-4-7(9(10)11)5-8(6)12-2/h3-5h,1-2h, 2-Methyl-5-nitroanisole, 2-Methoxy-4-nitrotoluene, MFCD00043912, 5-nitro-2-methylanisole, 1-Methoxy-2-methyl-5-nitrobenzene, 2-Methoxy-1-methyl-4-nitro-benzene, NSC25213, 4-nitro-2-methoxytoluene, 2-methoxy-4-nitro-toluene, SCHEMBL265440, SCHEMBL3892143, 2-Methyl-5-nitroanisole, 99%, 1-methyl-2-methoxy-4-nitrobenzene, NSC-25213, SBB065728, AKOS002320218, AC-7769, CS-W017839, FM53583, GS-3135, 1-methyl-2-(methyloxy)-4-nitrobenzene, SY008149, DB-021359, M1681, NS00024151, ST50758929, 1-Methoxy-2-methyl-5-nitrobenzene;2-Methoxy-4-nitrotoluene

Application

2-Methoxy-1-methyl-4-nitrobenzene serves as a key intermediate in the synthesis of complex organic molecules, particularly in pharmaceutical and agrochemical research. Its nitro group facilitates reduction reactions to form valuable amino derivatives, while the methoxy substituent enables further functionalization via electrophilic aromatic substitution. This compound is frequently employed in the development of dye precursors and specialty polymers. Researchers also utilize it as a building block for heterocyclic compounds in medicinal chemistry applications.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H319 (95%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statements

• P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Eye Irrit. 2 (95%)

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