Description

2-Chloro-3,4-difluoro-1-nitrobenzene (CAS No. 169468-83-1) is a high-purity halogenated nitrobenzene derivative with the molecular formula C₆H₂ClF₂NO₂. This compound, also known by its IUPAC name 3-chloro-1,2-difluoro-4-nitrobenzene, is a versatile intermediate in organic synthesis and pharmaceutical research. Its unique structure, featuring chloro, fluoro, and nitro substituents on an aromatic ring, makes it valuable for electrophilic substitution reactions and as a building block for agrochemicals, dyes, and advanced materials. Available in >98% purity (GC), this compound is supplied in amber glass vials under inert gas to ensure stability. Suitable for research-scale applications, it is characterized by ¹H NMR, ¹³C NMR, and mass spectrometry. Store at 2-8°C in a dry environment.

Properties

• CAS Number: 169468-83-1
• Complexity: 187
• IUPAC Name: 3-chloro-1,2-difluoro-4-nitro-benzene
• InChI: InChI=1S/C6H2ClF2NO2/c7-5-4(10(11)12)2-1-3(8)6(5)9/h1-2H
• InChI Key: MOKXBJZRTOPIFB-UHFFFAOYSA-N
• Exact Mass: 192.9742123
• Molecular Formula: C6H2ClF2NO2
• Molecular Weight: 193.53
• SMILES: C1=CC(=C(C(=C1[N+](=O)[O-])Cl)F)F
• Topological: 45.8
• Monoisotopic Mass: 192.9742123
• Synonyms: 169468-83-1, 2-chloro-3,4-difluoro-1-nitrobenzene, DTXSID40531186, DTXCID40481975, 605-553-7, 2-Chloro-3,4-difluoronitrobenzene, MFCD06658262, 3-chloro-1,2-difluoro-4-nitrobenzene, 2-Chloro-3,4,-difluoronitrobenzene, 3-chloro-1,2-difluoro-4-nitro-benzene, SCHEMBL3723529, SBB064334, AKOS006345236, AC-5971, CS-W003305, DS-1635, SY022870, 2-Chloro-3 pound not4-difluoronitrobenzene, DB-005211, 3-chloranyl-1,2-bis(fluoranyl)-4-nitro-benzene, EN300-1228952, A838973, F0001-2430, 2,3-Difluoro-6-nitrochlorobenzene;5,6-Difluoro-2-nitrochlorobenzene

Application

2-Chloro-3,4-difluoro-1-nitrobenzene serves as a key precursor in the synthesis of fluorinated pharmaceuticals and agrochemicals. Its electron-deficient aromatic ring facilitates nucleophilic aromatic substitution reactions, enabling the creation of complex heterocycles. Researchers utilize this compound to develop novel active ingredients in crop protection products due to its stability and reactivity. It is also employed in material science for designing fluorinated liquid crystals and polymers with tailored properties.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (100%)

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