Description

4-Methyl-3-nitrobenzyl alcohol (CAS No. 40870-59-5) is a high-purity nitroaromatic compound with the molecular formula C₈H₉NO₃. This fine chemical, also known by its IUPAC name (4-methyl-3-nitrophenyl)methanol, features a benzyl alcohol group substituted with a methyl and nitro group at the 4- and 3-positions, respectively. With a molecular weight of 167.16 g/mol, it is supplied as a crystalline solid with >98% purity (HPLC), ideal for research and synthetic applications. The compound is rigorously tested for quality (GC/MS, NMR) and packaged under inert conditions to ensure stability. Key applications include use as a versatile intermediate in organic synthesis, pharmaceutical development, and material science research. Available in gram to kilogram quantities with customizable packaging options.

Properties

• CAS Number: 40870-59-5
• Complexity: 166
• IUPAC Name: (4-methyl-3-nitro-phenyl)methanol
• InChI: InChI=1S/C8H9NO3/c1-6-2-3-7(5-10)4-8(6)9(11)12/h2-4,10H,5H2,1H3
• InChI Key: URCWIFSXDARYLY-UHFFFAOYSA-N
• Exact Mass: 167.058243149
• Molecular Formula: C8H9NO3
• Molecular Weight: 167.16
• SMILES: CC1=C(C=C(C=C1)CO)[N+](=O)[O-]
• Topological: 66.1
• Monoisotopic Mass: 167.058243149
• Synonyms: 4-Methyl-3-nitrobenzyl alcohol, 40870-59-5, EINECS 255-120-8, 4-Methyl-3-nitrobenzenemethanol, DTXSID80193843, DTXCID20116334, 255-120-8, (4-Methyl-3-nitrophenyl)methanol, Benzenemethanol, 4-methyl-3-nitro-, MFCD00007177, (4-Methyl-3-nitro-phenyl)-methanol, Benzenemethanol,4-methyl-3-nitro-, H263GGH7NZ, SCHEMBL715634, 4-Methyl-3-nitro benzylalcohol, SCHEMBL16958121, SCHEMBL27987026, Benzyl alcohol, 4-methyl-3-nitro-, (4-Methyl-3-nitrophenyl)methanol #, AKOS009158782, AKOS015913702, 4-Methyl-3-nitrobenzyl alcohol, 99%, s10877, AS-60807, SY157732, DB-049673, CS-0061176, M2916, NS00030862, EN300-156563, InChI=1/C8H9NO3/c1-6-2-3-7(5-10)4-8(6)9(11)12/h2-4,10H,5H2,1H

Application

4-Methyl-3-nitrobenzyl alcohol serves as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. The nitro and hydroxyl functional groups make it valuable for redox reactions and as a precursor for heterocyclic compounds. Researchers utilize it in coupling reactions and as a building block for drug discovery programs targeting antimicrobial and anti-inflammatory agents. Its structural features also enable applications in polymer chemistry and dye synthesis.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (100%): Causes serious eye damage [Danger 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Dam. 1 (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.