Description

1,3,5-Trimethoxy-2-nitrobenzene (CAS: 14227-18-0) is a high-purity nitroaromatic compound with the molecular formula C₉H₁₁NO₅. This chemical is characterized by its three methoxy groups and a nitro group attached to a benzene ring, making it a valuable intermediate in organic synthesis and pharmaceutical research. It is supplied as a fine crystalline powder with exceptional purity (>98%) to ensure consistency in experimental applications. Ideal for researchers in medicinal chemistry, this compound is commonly used in the development of novel drug candidates and as a building block for complex molecular architectures. Proper storage in a cool, dry environment is recommended to maintain stability.

Properties

• CAS Number: 14227-18-0
• Complexity: 203
• IUPAC Name: 1,3,5-trimethoxy-2-nitro-benzene
• InChI: InChI=1S/C9H11NO5/c1-13-6-4-7(14-2)9(10(11)12)8(5-6)15-3/h4-5H,1-3H3
• InChI Key: VWYAWLZEMLQGJH-UHFFFAOYSA-N
• Exact Mass: 213.06372245
• Molecular Formula: C9H11NO5
• Molecular Weight: 213.19
• SMILES: COC1=CC(=C(C(=C1)OC)[N+](=O)[O-])OC
• Topological: 73.5
• Monoisotopic Mass: 213.06372245
• Synonyms: 1,3,5-Trimethoxy-2-nitrobenzene, 14227-18-0, DTXSID20333847, DTXCID30284937, 965-195-5, 2,4,6-Trimethoxynitrobenzene, Benzene, 1,3,5-trimethoxy-2-nitro-, 1-Nitro-2,4,6-trimethoxybenzene, MFCD00016992, Benzene,1,3,5-trimethoxy-2-nitro-, Maybridge1_001624, SCHEMBL6826066, SCHEMBL28412483, HMS546B18, VWYAWLZEMLQGJH-UHFFFAOYSA-N, 2-Nitro-1,3,5-trimethoxybenzene, STR04290, SBB016956, 1,3,5-Trimethoxy-2-nitrobenzene #, AKOS022180285, CCG-234218, FN70072, BP-11358, SY316384, DB-042619, CS-0150505, ST50307778, D71103, EN300-9442867

1,3,5-Trimethoxy-2-nitrobenzene is widely utilized as a key intermediate in the synthesis of pharmaceuticals and agrochemicals. Its nitroaromatic structure makes it suitable for electrophilic substitution reactions, enabling the creation of diverse heterocyclic compounds. Researchers also employ it in the study of nitro-group reduction mechanisms and as a precursor for dyes and pigments. Its stability and reactivity profile make it a preferred choice for exploratory organic chemistry applications.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): 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. 2A (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.