Description

2,3-Diamino-6-chlorobenzonitrile (CAS No. 548457-80-3) is a high-purity aromatic compound with the molecular formula C₇H₆ClN₃. This versatile intermediate features a chlorobenzonitrile core substituted with two amino groups at the 2 and 3 positions, making it an ideal building block for pharmaceutical synthesis, agrochemical development, and advanced material research. With exceptional reactivity in nucleophilic substitution and cyclization reactions, this compound is particularly valuable for constructing heterocyclic frameworks including benzimidazoles and quinoxalines. Available in >98% purity by HPLC, our product undergoes rigorous QC testing including NMR, LC-MS, and elemental analysis to ensure batch-to-batch consistency. Proper handling requires PPE due to potential sensitization hazards (GHS07). Supplied in amber glass vials under inert atmosphere for optimal stability.

Properties

• CAS Number: 548457-80-3
• Complexity: 185
• IUPAC Name: 2,3-diamino-6-chloro-benzonitrile
• InChI: InChI=1S/C7H6ClN3/c8-5-1-2-6(10)7(11)4(5)3-9/h1-2H,10-11H2
• InChI Key: FJSOJNZXBJCWNZ-UHFFFAOYSA-N
• Exact Mass: 167.0250249
• Molecular Formula: C7H6ClN3
• Molecular Weight: 167.59
• SMILES: C1=CC(=C(C(=C1N)N)C#N)Cl
• Topological: 75.8
• Monoisotopic Mass: 167.0250249
• Synonyms: 2,3-diamino-6-chlorobenzonitrile, 548457-80-3, 874-212-4, MFCD20723943, SCHEMBL6363096, FJSOJNZXBJCWNZ-UHFFFAOYSA-N, AKOS027324685, AC-29839, DS-11538, SY040539, DB-181554, CS-0098645, O10564, EN300-7365438

This diaminochlorobenzonitrile derivative serves as a key precursor in medicinal chemistry for developing kinase inhibitors and antimicrobial agents. Researchers utilize its bifunctional amino groups for constructing fused nitrogen heterocycles through condensation reactions. The electron-withdrawing cyano group enhances reactivity in palladium-catalyzed cross-coupling reactions. Industrial applications include dye synthesis and corrosion inhibitors.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (50%): 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 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Acute Tox. 4 (50%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• Acute Tox. 4 (100%)
• STOT SE 3 (100%)

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