Description

2,5-Difluoronitrobenzene (CAS No. 364-74-9) is a high-purity aromatic compound with the molecular formula C₆H₃F₂NO₂, widely utilized in organic synthesis and pharmaceutical research. This yellow crystalline solid, also known as 1,4-difluoro-2-nitrobenzene, features a nitro group adjacent to two fluorine atoms on a benzene ring, making it a valuable electrophilic intermediate for nucleophilic aromatic substitution (S_NAr) reactions. With a molecular weight of 159.09 g/mol, it is soluble in organic solvents like ethanol, DMSO, and dichloromethane. Ideal for researchers, this compound is rigorously tested for purity (typically ≥98% by GC or HPLC) and is supplied in secure, light-resistant packaging to ensure stability. Store in a cool, dry environment to maintain optimal quality.

Properties

• CAS Number: 364-74-9
• Complexity: 159
• IUPAC Name: 1,4-difluoro-2-nitro-benzene
• InChI: InChI=1S/C6H3F2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H
• InChI Key: XNJAYQHWXYJBBD-UHFFFAOYSA-N
• Exact Mass: 159.01318466
• Molecular Formula: C6H3F2NO2
• Molecular Weight: 159.09
• SMILES: C1=CC(=C(C=C1F)[N+](=O)[O-])F
• Topological: 45.8
• Monoisotopic Mass: 159.01318466
• Physical Description: Light yellow liquid;
• Vapor Pressure: 0.35 [mmHg]
• Synonyms: 2,5-Difluoronitrobenzene, 1,4-Difluoro-2-nitrobenzene, Benzene, 1,4-difluoro-2-nitro-, EINECS 206-663-4, NSC 528657, BRN 2210200, XNJAYQHWXYJBBD-UHFFFAOYSA-, DTXSID60189921, 4-05-00-00720 (Beilstein Handbook Reference), 1,4Difluoro2nitrobenzene, Benzene, 1,4difluoro2nitro, DTXCID20112412, 206-663-4, inchi=1/c6h3f2no2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3h, xnjayqhwxyjbbd-uhfffaoysa-n, 364-74-9, 1,4-Difluoro-2-nitro-benzene, MFCD00007054, UYT39NR8J2, NSC-528657, 2,5 difluoronitrobenzene, 2,5 -difluoronitrobenzene, 2,5-difluoro-nitrobenzene, 2,5-difluoronitro-benzene, 2.5-difluoro-nitrobenzene, UNII-UYT39NR8J2, 2,5-difluoro-1-nitrobenzene, 2,5-difluoro-4-nitrobenzene, Benzene,4-difluoro-2-nitro-, SCHEMBL102780, 1,4-di-fluoro-2-nitrobenzene, 2,5-difluoro-1-nitro-benzene, CHEMBL164704, SCHEMBL28975371, 2,5-Difluoronitrobenzene, 97%, NSC528657, SBB042496, AKOS000271144, AC-2468, CS-W010886, s12301, DB-023931, D1700, NS00041705, ST50817423, EN300-17794, Z57039582, F0001-1042

Application

2,5-Difluoronitrobenzene serves as a versatile building block in the synthesis of fluorinated aromatic compounds, agrochemicals, and active pharmaceutical ingredients (APIs). Its electron-deficient structure facilitates S_NAr reactions, enabling the introduction of amines, thiols, or other nucleophiles for derivatization. Researchers employ it in the development of liquid crystals, dyes, and advanced materials due to its fluorine-enhanced electronic properties. Additionally, it is explored in medicinal chemistry for creating fluorinated analogs of bioactive molecules to modulate pharmacokinetics.

Safety and Hazards

GHS Hazard Statements

• H302 (16.3%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (14.3%): 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 (14.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H373 (10.2%): 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, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (16.3%)
• Acute Tox. 4 (14.3%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (14.3%)
• STOT SE 3 (98%)
• STOT RE 2 (10.2%)

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