Description

Benzene, 1-chloro-2-methyl-4-nitro- (CAS No. 13290-74-9) is a high-purity nitroaromatic compound with the molecular formula C₇H₆ClNO₂. This yellow crystalline solid is widely used in organic synthesis, pharmaceutical intermediates, and agrochemical research due to its reactive nitro and chloro functional groups. With a purity of ≥99.0% (GC), it is ideal for precise laboratory applications, including Suzuki couplings and electrophilic substitutions. Packaged under inert conditions to ensure stability, this compound is a critical reagent for researchers developing advanced materials, dyes, and specialty chemicals. Proper handling in a fume hood is recommended due to its potential irritant properties.

Properties

• CAS Number: 13290-74-9
• Complexity: 157
• IUPAC Name: 1-chloro-2-methyl-4-nitro-benzene
• InChI: InChI=1S/C7H6ClNO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,1H3
• InChI Key: BGDCQZFFNFXYQC-UHFFFAOYSA-N
• Exact Mass: 171.0087061
• Molecular Formula: C7H6ClNO2
• Molecular Weight: 171.58
• SMILES: CC1=C(C=CC(=C1)[N+](=O)[O-])Cl
• Topological: 45.8
• Monoisotopic Mass: 171.0087061
• Synonyms: 2-Chloro-5-nitrotoluene, 13290-74-9, 1-Chloro-2-methyl-4-nitrobenzene, Benzene, 1-chloro-2-methyl-4-nitro-, 3-Nitro-6-chlorotoluene, EINECS 236-306-8, 2-Methyl-4-nitrochlorobenzene, DTXSID8065402, DTXCID2034122, 236-306-8, 4-Chloro-3-methylnitrobenzene, 1-chloro-2-methyl-4-nitro-benzene, MFCD00041430, 2-Chloro-5-nitroluene, 5-Nitro-2-chlorotoluene, 2-chloro-5-nitro-toluene, SCHEMBL305393, SCHEMBL3040448, SCHEMBL7759311, SCHEMBL9301089, SBB063177, 1-chloranyl-2-methyl-4-nitro-benzene, AKOS005134013, FC00620, AS-11892, SY020693, DB-023723, 2-Chloro-5-nitrotoluene, >=99.0% (GC), C1233, CS-0010836, NS00024249, ST50408087, EN300-39500, O10395, A806523, AE-562/40182212, Z385459404

This compound serves as a versatile intermediate in the synthesis of pharmaceuticals, dyes, and agrochemicals. Researchers use it in cross-coupling reactions to build complex aromatic structures. Its nitro group enables reduction to amines for further functionalization. Suitable for electrophilic aromatic substitution studies in academic and industrial settings. Also employed in the development of photoactive materials and corrosion inhibitors.

Safety and Hazards

GHS Hazard Statements

• H302 (98.3%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (15.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (15.3%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (15.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (15.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H373 (11.9%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

Precautionary Statements

• P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, and P501

Hazard Classes and Categories

• Acute Tox. 4 (98.3%)
• Acute Tox. 4 (15.3%)
• Skin Irrit. 2 (15.3%)
• Eye Irrit. 2 (15.3%)
• Acute Tox. 4 (15.3%)
• STOT RE 2 (11.9%)

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