Description

4-Benzyloxyphenylacetonitrile (CAS No. 838-96-0) is a high-purity organic compound with the molecular formula C₁₅H₁₃NO. This nitrile derivative features a benzyloxy-substituted phenyl group, making it a valuable intermediate in synthetic organic chemistry and pharmaceutical research. Its IUPAC name, 2-(4-phenylmethoxyphenyl)acetonitrile, reflects its precise structural configuration. With a molecular weight of 223.27 g/mol, this compound is supplied as a white to off-white crystalline powder, ensuring consistent quality for laboratory and industrial applications. Ideal for researchers in medicinal chemistry, it is commonly used in the synthesis of heterocycles, fine chemicals, and bioactive molecules. Store in a cool, dry place away from light and moisture to maintain stability.

Properties

• CAS Number: 838-96-0
• Complexity: 253
• IUPAC Name: 2-(4-benzyloxyphenyl)acetonitrile
• InChI: InChI=1S/C15H13NO/c16-11-10-13-6-8-15(9-7-13)17-12-14-4-2-1-3-5-14/h1-9H,10,12H2
• InChI Key: QKEYZRVDFZDOEP-UHFFFAOYSA-N
• Exact Mass: 223.099714038
• Molecular Formula: C15H13NO
• Molecular Weight: 223.27
• SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)CC#N
• Topological: 33
• Monoisotopic Mass: 223.099714038
• Synonyms: 4-Benzyloxyphenylacetonitrile, 838-96-0, DTXSID50335071, DTXCID00286160, 617-499-1, 2-(4-(benzyloxy)phenyl)acetonitrile, 4-benzyloxybenzyl cyanide, 2-(4-phenylmethoxyphenyl)acetonitrile, [4-(benzyloxy)phenyl]acetonitrile, 2-[4-(benzyloxy)phenyl]acetonitrile, MFCD00016400, 2-[4-(phenylmethoxy)phenyl]ethanenitrile, (4-benzyloxyphenyl)acetonitrile, p-benzyloxyphenyl acetonitrile, 4-benzyloxyphenyl-acetonitrile, SCHEMBL2277105, SBB068652, AKOS000184480, FB55009, FS-3886, DB-056757, B4734, CS-0456110, ST50408046, EN300-247913, T71376

Application

4-Benzyloxyphenylacetonitrile serves as a versatile building block in organic synthesis, particularly in the preparation of pharmaceuticals and agrochemicals. It is employed in the development of benzofuran and indole derivatives, which are key scaffolds in drug discovery. Researchers also utilize this compound in coupling reactions and as a precursor for fluorescent probes. Its stability and reactivity make it suitable for multistep synthetic routes.

Safety and Hazards

GHS Hazard Statements

• H302 (13.3%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (11.1%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (88.9%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (86.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H400 (86.7%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

Precautionary Statements

• P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, P391, and P501

Hazard Classes and Categories

• Acute Tox. 4 (13.3%)
• Acute Tox. 4 (11.1%)
• Skin Irrit. 2 (88.9%)
• Eye Dam. 1 (86.7%)
• Aquatic Acute 1 (86.7%)

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.