Description

1-(Chloromethyl)-3,5-dinitrobenzene (CAS No. 74367-78-5) is a high-purity nitroaromatic compound with the molecular formula C₇H₅ClN₂O₄. This crystalline solid is widely utilized in organic synthesis, pharmaceutical intermediates, and specialty chemical applications. Its reactive chloromethyl and electron-withdrawing nitro groups make it a versatile building block for nucleophilic substitution and further functionalization. Available in ≥98% purity (HPLC), this product is rigorously tested for consistency, with detailed technical data (NMR, FTIR, MS) provided. Packaged under inert gas in amber glass vials to ensure stability. Suitable for research, process development, and fine chemical manufacturing. Hazard classification: GHS05 (Corrosive), GHS07 (Harmful).

Properties

• CAS Number: 74367-78-5
• Complexity: 215
• IUPAC Name: 1-(chloromethyl)-3,5-dinitro-benzene
• InChI: InChI=1S/C7H5ClN2O4/c8-4-5-1-6(9(11)12)3-7(2-5)10(13)14/h1-3H,4H2
• InChI Key: SMJODKZAFKWUJG-UHFFFAOYSA-N
• Exact Mass: 215.9937843
• Molecular Formula: C7H5ClN2O4
• Molecular Weight: 216.58
• SMILES: C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CCl
• Topological: 91.6
• Monoisotopic Mass: 215.9937843
• Synonyms: 3,5-Dinitrobenzyl chloride, 74367-78-5, Benzene, 1-(chloromethyl)-3,5-dinitro-, CCRIS 3134, EINECS 277-841-7, Toluene, alpha-chloro-3,5-dinitro-, DTXSID8072790, DTXCID3047635, 1-(Chloromethyl)-3,5-dinitrobenzene, 3,5-dinitrobenzylchloride, alpha-Chloro-3,5-dinitrotoluene, MFCD00007234, SCHEMBL1316710, SMJODKZAFKWUJG-UHFFFAOYSA-, 1-Chloromethyl-3,5-dinitrobenzene, 3,5-Dinitrobenzyl chloride, 97%, AKOS015889178, AKOS016005470, AB00862, Toluene, .alpha.-chloro-3,5-dinitro-, 1-(Chloromethyl)-3,5-dinitrobenzene #, AS-40377, FD151914, DB-022112, NS00037616, 3,5-Dinitrobenzyl chloride, purum, >=97.0% (AT), InChI=1/C7H5ClN2O4/c8-4-5-1-6(9(11)12)3-7(2-5)10(13)14/h1-3H,4H2

Application

1-(Chloromethyl)-3,5-dinitrobenzene serves as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and dyes. Its reactive sites enable the preparation of benzylamines, thioethers, and heterocyclic compounds through nucleophilic displacement. The compound is particularly valuable in medicinal chemistry for constructing nitroaromatic scaffolds with biological activity. It also finds use in polymer chemistry as a crosslinking agent or monomer modifier.

Safety and Hazards

GHS Hazard Statements

• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Corr. 1B (100%)
• STOT SE 3 (100%)

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