Description

4-Chloro-2-fluoro-1-nitrobenzene (CAS No. 700-37-8) is a high-purity nitroaromatic compound with the molecular formula C₆H₃ClFNO₂, widely utilized in pharmaceutical and agrochemical research. This halogenated nitrobenzene derivative features a chloro group at the 4-position and a fluoro group at the 2-position, offering unique reactivity for electrophilic substitution and nucleophilic aromatic substitution (SNAr) reactions. Its crystalline form (purity ≥98%) ensures consistent performance in synthetic applications, including intermediates for active pharmaceutical ingredients (APIs) and specialty chemicals. Packaged under inert gas to prevent degradation, it is supplied in amber glass vials or bulk quantities with certified analytical data (GC/MS, NMR). Ideal for cross-coupling reactions, heterocycle synthesis, and material science applications requiring precise halogenated building blocks.

Properties

• CAS Number: 700-37-8
• Complexity: 161
• IUPAC Name: 4-chloro-2-fluoro-1-nitro-benzene
• InChI: InChI=1S/C6H3ClFNO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H
• InChI Key: PTCPUGKKWNMITF-UHFFFAOYSA-N
• Exact Mass: 174.9836342
• Molecular Formula: C6H3ClFNO2
• Molecular Weight: 175.54
• SMILES: C1=CC(=C(C=C1Cl)F)[N+](=O)[O-]
• Topological: 45.8
• Monoisotopic Mass: 174.9836342
• Synonyms: 700-37-8, 4-Chloro-2-fluoro-1-nitrobenzene, EINECS 211-842-5, PTCPUGKKWNMITF-UHFFFAOYSA-, DTXSID40220260, DTXCID40142751, 211-842-5, inchi=1/c6h3clfno2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3h, 4-Chloro-2-fluoronitrobenzene, Benzene, 4-chloro-2-fluoro-1-nitro-, MFCD00042211, 2-FLUORO-4-CHLORONITROBENZENE, 1-chloro-3-fluoro-4-nitrobenzene, 4-chloro-2-fluoro-1-nitro-benzene, SCHEMBL29348, 5-chloro-2-nitrofluorobenzene, 2-fluoro-4-chloro-nitrobenzene, 4-chloro-2-fluoro-nitrobenzene, SCHEMBL9386232, 2-fluoro-4-chloro-1-nitro-benzene, 4-chloro-2-fluoro-1-nitro benzene, SBB064483, 4-Chloro-2-fluoro-1-nitrobenzene #, AKOS005256685, AC-9689, CS-W002202, AS-14572, SY013131, DB-005344, NS00042412, ST51041649, 4-Chloro-2-fluoro-1-nitrobenzene, AldrichCPR, EN300-152826, 4-Chloro-2-fluoronitrobenzene ;2-Nitro-5-chlorofluorobenzene;3-Fluoro-4-nitrochlorobenzene

Application

4-Chloro-2-fluoro-1-nitrobenzene serves as a key intermediate in the synthesis of herbicides, fungicides, and pharmaceutical scaffolds. Its electron-deficient aromatic ring facilitates SNAr reactions for constructing fluorinated anilines or heterocycles like benzimidazoles. Researchers employ it in Suzuki-Miyaura couplings to create biphenyl derivatives for drug discovery. The compound’s nitro group also enables reduction to amines for further functionalization in dye or polymer chemistry.

Safety and Hazards

GHS Hazard Statements

• H302+H312+H332 (20%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
• H302 (60%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (20%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (20%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (60%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (20%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (80%): 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (60%)
• Acute Tox. 4 (20%)
• Skin Irrit. 2 (80%)
• Eye Dam. 1 (20%)
• Eye Irrit. 2 (60%)
• Acute Tox. 4 (20%)
• STOT SE 3 (80%)

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.