Description

(2,6-Dichlorophenyl)acetonitrile (CAS No. 3215-64-3) is a high-purity organic compound with the molecular formula C₈H₅Cl₂N. This crystalline solid is widely used as a key intermediate in pharmaceutical and agrochemical synthesis. Its IUPAC name, 2-(2,6-dichlorophenyl)acetonitrile, reflects its structural composition featuring a dichlorinated phenyl ring attached to an acetonitrile group. With a molecular weight of 186.04 g/mol, this compound is characterized by its excellent stability under standard conditions. Our product is rigorously tested to ensure ≥98% purity (HPLC) and is supplied in sealed containers to maintain integrity. Suitable for research and industrial applications, it is particularly valuable in heterocyclic chemistry and as a precursor for bioactive molecules.

Properties

• CAS Number: 3215-64-3
• Complexity: 162
• IUPAC Name: 2-(2,6-dichlorophenyl)acetonitrile
• InChI: InChI=1S/C8H5Cl2N/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4H2
• InChI Key: AOEJUUCUKRUCEF-UHFFFAOYSA-N
• Exact Mass: 184.9799046
• Molecular Formula: C8H5Cl2N
• Molecular Weight: 186.03
• SMILES: C1=CC(=C(C(=C1)Cl)CC#N)Cl
• Topological: 23.8
• Monoisotopic Mass: 184.9799046
• Synonyms: 3215-64-3, (2,6-Dichlorophenyl)acetonitrile, 2,6-Dichlorobenzeneacetonitrile, EINECS 221-730-8, DTXSID00185922, NSC 72901, DTXCID40108413, 221-730-8, 2,6-Dichlorophenylacetonitrile, 2,6-Dichlorobenzyl cyanide, 2-(2,6-dichlorophenyl)acetonitrile, Benzeneacetonitrile, 2,6-dichloro-, Acetonitrile, (2,6-dichlorophenyl)-, 2.6-Dichlorophenylacetonitrile, NSC-72901, 2-(2,6-dichlorophenyl)ethanenitrile, 2,6-dichlorophenyl acetonitrile, MFCD00001901, NSC72901, YDY3AJ66GX, NCIOpen2_000517, SCHEMBL779716, Benzeneacetonitrile,6-dichloro-, 2, 6dichlorophenyl acetonitrile, Acetonitrile,6-dichlorophenyl)-, AOEJUUCUKRUCEF-UHFFFAOYSA-, 2,6-dichloro-phenyl-acetonitrile, HMS1783K05, (2,6-dichloro-phenyl)-acetonitrile, BBL011912, SBB063690, STK802614, 2,6-Dichlorophenylacetic acid nitrile, 2,6-Dichlorophenylacetonitrile, 97%, AKOS001051962, AC-4190, CS-W007959, FD12582, AS-11557, DB-048172, D1793, NS00029220, ST50406205, EN300-17289, Z56911945, InChI=1/C8H5Cl2N/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4H2

Application

(2,6-Dichlorophenyl)acetonitrile serves as a versatile building block in organic synthesis, particularly for constructing pharmaceutical intermediates. It is employed in the preparation of herbicides, fungicides, and other agrochemicals due to its reactive nitrile group. Researchers utilize this compound in cross-coupling reactions and cyclization processes to develop novel heterocyclic compounds. Its dichlorophenyl moiety makes it valuable for studying structure-activity relationships in medicinal chemistry.

Safety and Hazards

GHS Hazard Statements

• H301 (10.4%): Toxic if swallowed [Danger Acute toxicity, oral]
• H302 (87.5%): Harmful if swallowed [Warning Acute toxicity, oral]
• H311 (10.4%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H312 (87.5%): 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]
• H331 (10.4%): Toxic if inhaled [Danger Acute toxicity, inhalation]
• H332 (85.4%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (93.8%): 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 (10.4%)
• Acute Tox. 4 (87.5%)
• Acute Tox. 3 (10.4%)
• Acute Tox. 4 (87.5%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 3 (10.4%)
• Acute Tox. 4 (85.4%)
• STOT SE 3 (93.8%)

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