Description

4-Chloro-3-nitrophenyl methyl sulfone (CAS No. 97-07-4) is a high-purity organic compound with the molecular formula C₇H₆ClNO₄S and IUPAC name 1-chloro-4-methylsulfonyl-2-nitrobenzene. This yellow crystalline solid is a valuable intermediate in synthetic organic chemistry, particularly in the production of pharmaceuticals, agrochemicals, and specialty materials. With a molecular weight of 235.64 g/mol, it features a unique combination of functional groups (chloro, nitro, and methylsulfonyl) that make it versatile for nucleophilic substitution reactions and further derivatization. Our product is rigorously tested to ensure ≥98% purity (HPLC) and is supplied in sealed containers under inert atmosphere to maintain stability. Ideal for researchers developing novel compounds in medicinal chemistry or material science applications.

Properties

• CAS Number: 97-07-4
• Complexity: 318
• IUPAC Name: 1-chloro-4-methylsulfonyl-2-nitro-benzene
• InChI: InChI=1S/C7H6ClNO4S/c1-14(12,13)5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3
• InChI Key: JAANTSGNTKWLFA-UHFFFAOYSA-N
• Exact Mass: 234.9706065
• Molecular Formula: C7H6ClNO4S
• Molecular Weight: 235.65
• SMILES: CS(=O)(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]
• Topological: 88.3
• Monoisotopic Mass: 234.9706065
• Synonyms: 97-07-4, 4-Chloro-3-nitrophenyl methyl sulfone, 1-chloro-4-(methylsulfonyl)-2-nitrobenzene, Benzene, 1-chloro-4-(methylsulfonyl)-2-nitro-, 3-Nitro-4-chlorophenyl methyl sulfone, 2CL5F050J7, EINECS 202-557-7, NSC 25818, NSC-25818, Sulfone, 4-chloro-3-nitrophenyl methyl, UNII-2CL5F050J7, DTXSID7059147, 4-(METHYLSULFONYL)-2-NITROCHLOROBENZENE, 2-CHLORO-5-(METHYLSULFONYL)-1-NITROBENZENE, DTXCID1049017, Sulfone, 4-chloro-3-nitrophenyl methyl (8CI), 202-557-7, 3-Nitro-4-chloro phenyl methyl sulfone, 1-chloro-4-methylsulfonyl-2-nitrobenzene, 1-Chloro-4-(methylsulphonyl)-2-nitrobenzene, 1-chloro-4-methanesulfonyl-2-nitrobenzene, MFCD00039754, (4-Chloro-3-nitrophenyl) methyl sulfone, 1-Chloro-4-methanesulfonyl-2-nitro-benzene, 2-nitro-4-methylsulfonylchlorobenzene, 1-chloro-4-(methylsulfonyl)-2-nitro-benzen, NSC25818, 2-chloro-5-methylsulfonylnitrobenzene, SCHEMBL1097803, ALBB-023149, SBB064009, STL356763, 2-chloro-5-methylsulphonylnitrobenzene, 4-chloro-3-nitrophenyl-methyl sulfone, AKOS000115071, AC-4576, CS-W010324, 2-Chloro-5-(methylsulfonyl)nitrobenzene, AS-13446, SY047595, DB-057662, C2759, NS00040508, ST45016798, 1-chloranyl-4-methylsulfonyl-2-nitro-benzene, EN300-01530, A845679, Q27894519, Z56755841

Application

4-Chloro-3-nitrophenyl methyl sulfone serves as a key building block in pharmaceutical synthesis, particularly for creating sulfonamide-based drugs. It’s utilized in agrochemical research for developing novel herbicides and pesticides due to its reactive nitro and chloro substituents. The compound also finds use in material science as a precursor for specialty polymers and dyes.

Safety and Hazards

GHS Hazard Statements

• H302 (13.3%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (13.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (15.6%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statements

• P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501

Hazard Classes and Categories

• Acute Tox. 4 (13.3%)
• Acute Tox. 4 (13.3%)
• Skin Irrit. 2 (15.6%)
• Eye Irrit. 2 (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.