Description

5-Chloro-2-fluorobenzonitrile (CAS No. 57381-34-7) is a high-purity halogenated benzonitrile derivative with the molecular formula C₇H₃ClFN. This aromatic nitrile compound features both chloro and fluoro substituents on its benzene ring, making it a versatile intermediate for pharmaceutical, agrochemical, and materials science applications. Its crystalline form exhibits excellent stability under standard laboratory conditions, with a molecular weight of 155.56 g/mol. The compound’s unique electronic properties derived from its halogen substitutions make it particularly valuable in cross-coupling reactions and as a precursor for heterocyclic synthesis. Packaged in amber glass bottles under inert atmosphere to ensure long-term stability, our product is available in research (mg to g) and bulk (kg) quantities with ≥98% purity (HPLC).

Properties

• CAS Number: 57381-34-7
• Complexity: 162
• IUPAC Name: 5-chloro-2-fluoro-benzonitrile
• InChI: InChI=1S/C7H3ClFN/c8-6-1-2-7(9)5(3-6)4-10/h1-3H
• InChI Key: GJNJDELEHIGPKJ-UHFFFAOYSA-N
• Exact Mass: 154.9938050
• Molecular Formula: C7H3ClFN
• Molecular Weight: 155.55
• SMILES: C1=CC(=C(C=C1Cl)C#N)F
• Topological: 23.8
• Monoisotopic Mass: 154.9938050
• Synonyms: 5-Chloro-2-fluorobenzonitrile, 57381-34-7, 2-Fluoro-5-chlorobenzonitrile, Benzonitrile, 5-chloro-2-fluoro-, 8U2ML7JC3G, EINECS 260-710-3, DTXSID60205973, DTXCID90128464, 260-710-3, 5-chloro-2-fluorobenzonitirle, 3-CHLORO-6-FLUOROBENZONITRILE, MFCD01631434, 5-chloro-2-fluorobenzenecarbonitrile, 5-chloro-2-fluorocyanobenzene, 5-chloro-2-fluoro-benzonitrile, UNII-8U2ML7JC3G, SCHEMBL481131, SCHEMBL5843080, SCHEMBL8008155, BBL101023, SBB064168, STL554817, 5-Chloro-2-fluorobenzonitrile, 97%, AKOS005256367, AC-4048, CS-W008158, PS-8856, DB-024138, A8180, NS00053172, ST50824527, EN300-63966, Z991548142

Application

5-Chloro-2-fluorobenzonitrile serves as a key building block in medicinal chemistry for the synthesis of biologically active molecules, particularly kinase inhibitors and antimicrobial agents. In material science, it’s employed as a precursor for liquid crystals and conductive polymers due to its polarized aromatic system. The compound’s dual halogen functionality makes it valuable for sequential functionalization in palladium-catalyzed cross-coupling reactions.

Safety and Hazards

GHS Hazard Statements

• H302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]
• H311 (12.8%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H312 (87.2%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (17%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (17%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (97.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]

Precautionary Statements

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

Hazard Classes and Categories

• Acute Tox. 4 (95.7%)
• Acute Tox. 3 (12.8%)
• Acute Tox. 4 (87.2%)
• Skin Irrit. 2 (17%)
• Eye Irrit. 2A (17%)
• Acute Tox. 4 (97.9%)

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