Description

N-(2-Chloroethyl)-N-ethylaniline (CAS No. 92-49-9) is a specialized organic compound with the molecular formula C₁₀H₁₄ClN. This high-purity chemical is widely utilized in synthetic organic chemistry and pharmaceutical research due to its role as a versatile intermediate. Its structure features a chloroethyl group and an ethyl group bonded to a nitrogen atom attached to a phenyl ring, making it valuable for nucleophilic substitution reactions and heterocyclic synthesis. Available in liquid form, this compound is rigorously tested for quality, ensuring optimal performance in sensitive applications. Proper handling under inert conditions is recommended due to its reactive chloroethyl moiety. Ideal for researchers requiring precise and reliable building blocks for complex organic transformations.

Properties

• CAS Number: 92-49-9
• Complexity: 110
• IUPAC Name: N-(2-chloroethyl)-N-ethyl-aniline
• InChI: InChI=1S/C10H14ClN/c1-2-12(9-8-11)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
• InChI Key: DBDNQNARCHWMSP-UHFFFAOYSA-N
• Exact Mass: 183.0814771
• Molecular Formula: C10H14ClN
• Molecular Weight: 183.68
• SMILES: CCN(CCCl)C1=CC=CC=C1
• Topological: 3.2
• Monoisotopic Mass: 183.0814771
• Physical Description: Solid;
• Color/Form: NEEDLES FROM ALCOHOL
• Boiling Point: 251-253 °C
• Melting Point: 45.5-46.5 °C
• Solubility: SOL IN HOT ALCOHOL
• Synonyms: N-(2-Chloroethyl)-N-ethylaniline, Benzenamine, N-(2-chloroethyl)-N-ethyl-, N-ETHYL-N-(2-CHLOROETHYL)ANILINE, N-(2-Chloroethyl)-N-ethylbenzenamine, HSDB 5276, UNII-YRZ30ATK2G, EINECS 202-159-3, BRN 1073025, DTXSID6052615, 3-12-00-00263 (Beilstein Handbook Reference), N-ETHYL-N-(2-CHLOROETHYL)ANILINE [HSDB], N(2Chloroethyl)Nethylaniline, 2(NEthylanilino)ethyl chloride, Aniline, N(2chloroethyl)Nethyl, DTXCID0031188, N(2Chloroethyl)Nethylbenzenamine, Benzenamine, N(2chloroethyl)Nethyl, 202-159-3, 245-082-0, dbdnqnarchwmsp-uhfffaoysa-n, 92-49-9, Ethyl(chloroethyl)aniline, Emery 5770, Aniline, N-(2-chloroethyl)-N-ethyl-, 2-(N-Ethylanilino)ethyl chloride, Aniline, 4-chloro-N,N-diethyl-, N-Chloroethyl-N-ethylaniline, YRZ30ATK2G, N-(2-chloroethyl)-N-ethyl-aniline, N-Chlorethyl-N-ethylanilin, SCHEMBL479209, XH1397, AKOS010542110, DB-057309, NS00039464, H37409, A844253, Q27294678

Application

N-(2-Chloroethyl)-N-ethylaniline serves as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and dyes. It is particularly useful in the preparation of quaternary ammonium compounds and other nitrogen-containing heterocycles. Researchers employ this compound in alkylation reactions and as a precursor for bioactive molecules. Its reactivity makes it valuable in medicinal chemistry for designing targeted drug candidates. Always use appropriate safety measures due to its potential toxicity and reactivity.

Safety and Hazards

GHS Hazard Statements

• H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
• H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]

Precautionary Statements

• P262, P264, P270, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (100%)
• Acute Tox. 3 (100%)

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