Description

1,3-Difluoro-5-methyl-2-nitrobenzene (CAS No. 932373-92-7) is a high-purity aromatic compound with the molecular formula C₇H₅F₂NO₂. This fluorinated nitrobenzene derivative is characterized by its unique substitution pattern, featuring two fluorine atoms at the 1- and 3-positions, a methyl group at the 5-position, and a nitro group at the 2-position of the benzene ring. It is supplied as a crystalline solid with exceptional purity (>98%) and is rigorously tested via GC-MS, HPLC, and ¹H/¹⁹F NMR to ensure consistency for research applications. Suitable for use as a versatile intermediate in pharmaceutical synthesis, agrochemical development, and materials science, this compound is packaged under inert conditions to guarantee stability. Store in a cool, dry environment away from light and oxidizing agents.

Properties

• CAS Number: 932373-92-7
• Complexity: 171
• IUPAC Name: 1,3-difluoro-5-methyl-2-nitro-benzene
• InChI: InChI=1S/C7H5F2NO2/c1-4-2-5(8)7(10(11)12)6(9)3-4/h2-3H,1H3
• InChI Key: RCDKCOBKMXBXAU-UHFFFAOYSA-N
• Exact Mass: 173.02883473
• Molecular Formula: C7H5F2NO2
• Molecular Weight: 173.12
• SMILES: CC1=CC(=C(C(=C1)F)[N+](=O)[O-])F
• Topological: 45.8
• Monoisotopic Mass: 173.02883473
• Synonyms: 1,3-difluoro-5-methyl-2-nitrobenzene, 932373-92-7, DTXSID10718846, DTXCID20669592, 112-641-4, 3,5-Difluoro-4-nitrotoluene, 5-Methyl-1,3-difluoro-2-nitrobenzene, 3.5-DIFLUORO-4-NITROTOLUENE, MFCD15527695, SCHEMBL2274349, RCDKCOBKMXBXAU-UHFFFAOYSA-N, BCP06177, AKOS015853358, CS-W008674, GS-3916, DB-345518, 1 pound not3-Difluoro-5-methyl-2-nitrobenzene

Application

1,3-Difluoro-5-methyl-2-nitrobenzene serves as a key building block in the synthesis of fluorinated pharmaceuticals and agrochemicals due to its electron-withdrawing nitro and fluorine groups. Researchers utilize it in cross-coupling reactions (e.g., Suzuki-Miyaura) to construct complex aromatic scaffolds. It is also employed in the development of liquid crystals and specialty polymers where fluorinated aromatic moieties enhance thermal and chemical resistance. Additionally, its reactivity makes it valuable for probing electrophilic aromatic substitution mechanisms in organic chemistry studies.

Safety and Hazards

GHS Hazard Statements

• H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• 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+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

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