Description

1-Chloro-4-fluoro-2-nitrobenzene (CAS No. 345-17-5) is a high-purity aromatic compound with the molecular formula C₆H₃ClFNO₂, widely utilized in organic synthesis and pharmaceutical research. This yellow crystalline solid exhibits excellent stability and reactivity, making it a valuable intermediate for nucleophilic substitution reactions, cross-coupling processes, and the synthesis of agrochemicals or active pharmaceutical ingredients (APIs). Its unique structure, featuring chloro, fluoro, and nitro functional groups on a benzene ring, allows for selective modifications under controlled conditions. Packaged under inert gas to ensure longevity, our product undergoes rigorous QC testing (HPLC, GC, NMR) to guarantee ≥98% purity. Suitable for lab-scale R&D and industrial applications. Store in a cool, dry place away from light and oxidizing agents.

Properties

• CAS Number: 345-17-5
• Complexity: 161
• IUPAC Name: 1-chloro-4-fluoro-2-nitro-benzene
• InChI: InChI=1S/C6H3ClFNO2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H
• InChI Key: DVXDJQKEEKXJBW-UHFFFAOYSA-N
• Exact Mass: 174.9836342
• Molecular Formula: C6H3ClFNO2
• Molecular Weight: 175.54
• SMILES: C1=CC(=C(C=C1F)[N+](=O)[O-])Cl
• Topological: 45.8
• Monoisotopic Mass: 174.9836342
• Synonyms: 2-Chloro-5-fluoronitrobenzene, 345-17-5, 1-Chloro-4-fluoro-2-nitrobenzene, Benzene, 1-chloro-4-fluoro-2-nitro-, 3P9ZE2DD39, EINECS 206-456-9, DTXSID60188055, 2-CHLORO-5-FLUORO-1-NITROBENZENE, DTXCID90110546, 206-456-9, 1-chloro-4-fluoro-2-nitro-benzene, MFCD00084853, UNII-3P9ZE2DD39, 1-Chloro-4-fluoronitrobenzene, 2-chloro-5-fiuoronitrobenzene, SCHEMBL687212, 2-chloro-5-fluoronitro-benzene, SBB064062, 2-Chloro-5-fluoronitrobenzene, 99%, AKOS015850022, CS-W002347, AC-26076, AS-14471, DB-020854, A6850, C2166, NS00041565, ST50826789, A20804, EN300-201319, 1-Chloro-4-fluoro-2-nitrobenzene; 1-Nitro-2-chloro-5-fluorobenzene, 2-Chloro-5-fluoronitrobenzene ;4-fluoro-2-nitrochlorobenzene;4-Chloro-3-nitrofluorobenzene

Application

1-Chloro-4-fluoro-2-nitrobenzene serves as a versatile building block in the synthesis of fluorinated pharmaceuticals, including antibacterial and antifungal agents. Its electron-deficient aromatic ring facilitates Suzuki-Miyaura and Buchwald-Hartwig coupling reactions to create complex heterocycles. Researchers also employ it in the development of liquid crystals and specialty dyes due to its halogen-nitro substitution pattern. In agrochemistry, it acts as a precursor for herbicides and pesticides.

Safety and Hazards

GHS Hazard Statements

• H301 (10.9%): Toxic if swallowed [Danger Acute toxicity, oral]
• H302 (89.1%): Harmful if swallowed [Warning Acute toxicity, oral]
• H311 (10.9%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H312 (89.1%): 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 (89.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (89.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H373 (13%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

Precautionary Statements

• P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (10.9%)
• Acute Tox. 4 (89.1%)
• Acute Tox. 3 (10.9%)
• Acute Tox. 4 (89.1%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (89.1%)
• STOT SE 3 (89.1%)
• STOT RE 2 (13%)

If you are interested or have any questions, please contact us at support@atomfair.com

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