Description

4-Chloro-2-fluorobenzonitrile (CAS No. 57381-51-8) is a high-purity aromatic nitrile compound extensively utilized in pharmaceutical synthesis, agrochemical production, and advanced material research. With the molecular formula C₇H₃ClFN, this versatile intermediate features both chloro and fluoro substituents on its benzene ring, enabling selective functionalization in cross-coupling reactions and nucleophilic substitutions. Our product undergoes rigorous QC testing (HPLC, GC, NMR) to ensure ≥98% purity, making it ideal for precision applications. Packaged under inert gas to enhance stability, it is available in scalable quantities from milligrams to multi-kilogram batches. Suitable for use in Suzuki-Miyaura couplings, heterocycle synthesis, and ligand design, this compound is a staple in R&D laboratories.

Properties

• CAS Number: 57381-51-8
• Complexity: 162
• IUPAC Name: 4-chloro-2-fluoro-benzonitrile
• InChI: InChI=1S/C7H3ClFN/c8-6-2-1-5(4-10)7(9)3-6/h1-3H
• InChI Key: JRDMGVGCATYZPW-UHFFFAOYSA-N
• Exact Mass: 154.9938050
• Molecular Formula: C7H3ClFN
• Molecular Weight: 155.55
• SMILES: C1=CC(=C(C=C1Cl)F)C#N
• Topological: 23.8
• Monoisotopic Mass: 154.9938050
• Synonyms: 4-Chloro-2-fluorobenzonitrile, 57381-51-8, EINECS 260-712-4, DTXSID80205975, DTXCID10128466, 260-712-4, 2-fluoro-4-chlorobenzonitrile, MFCD00143284, 4-chloro-2-fluoro-benzonitrile, 4-chloro-2-fluorobenzenecarbonitrile, Benzonitrile, 4-chloro-2-fluoro-, SCHEMBL496891, SCHEMBL5842957, CK2140, SBB064167, AKOS005063889, AC-4046, CS-W016250, DS-1189, FC67941, PS-8860, BP-21237, SY007688, C2121, NS00052763, ST50824526, EN300-67637, Z57900352

4-Chloro-2-fluorobenzonitrile serves as a key precursor in the synthesis of bioactive molecules, including kinase inhibitors and antimicrobial agents. Its electron-withdrawing groups facilitate Pd-catalyzed cross-coupling reactions for constructing complex pharmacophores. Researchers also employ it in the development of liquid crystals and OLED materials due to its rigid aromatic core. The compound’s stability under acidic conditions makes it valuable for multistep synthetic workflows.

Safety and Hazards

GHS Hazard Statements

• H301 (37.5%): Toxic if swallowed [Danger Acute toxicity, oral]
• H302 (62.5%): Harmful if swallowed [Warning Acute toxicity, oral]
• H311 (62.5%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H312 (12.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H331 (12.5%): Toxic if inhaled [Danger Acute toxicity, inhalation]
• H332 (62.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (12.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• 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 (37.5%)
• Acute Tox. 4 (62.5%)
• Acute Tox. 3 (62.5%)
• Acute Tox. 4 (12.5%)
• Skin Irrit. 2 (75%)
• Eye Irrit. 2A (75%)
• Acute Tox. 3 (12.5%)
• Acute Tox. 4 (62.5%)
• STOT SE 3 (12.5%)

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