DICHLOROACETONITRILE 98% (C005B-030431)

Application

Dichloroacetonitrile can be used as a reactant to prepare:

• Chiral α, α-dichloro-β-aminonitriles via Pd-catalyzed enantioselective Mannich-type reaction with imines.
• α, α-dialkyl-substituted nitriles by an alkylation reaction with trialkylboranes in the presence of phenoxide base as a base.
• Halogenated pyridines via copper-catalyzed reaction with methacrolein.
• α,α-dichloro-β-hydroxy nitriles by condensation reaction with aldehydes and ketones in the presence of an alkoxide base.
• Selenium heterocycle derivatives via Diels–Alder cyclization with selenoaldehydes.
• Dichloroacetonitrile can also be used to develop an efficient method for the extraction and determination of common volatile halogenated disinfection by-products using the static headspace technique coupled with gas chromatography-mass spectrometry.

Biochem/physiol Actions

Dichloroacetonitrile is direct-acting mutagen and induces DNA strand breaks in cultured human lymphoblastic cells. It induces apoptosis or necrosis in murine macrophage cell line via reactive oxygen intermediates-mediated oxidative mechanisms of cellular damage.

Molecular Weight: 109.94. Empirical Formula: C₂HCl₂N. linearFormula: Cl₂CHCN. Quality Level: 100. Assay: 98%. form: liquid. refractive index: n20/D 1.44 (lit.). bp: 110-112 . °C (lit.). density: 1.369 . g/mL . at 25 . °C (lit.). SMILES string: ClC(Cl)C#N. InChI: 1S/C2HCl2N/c3-2(4)1-5/h2H. InChI key: STZZWJCGRKXEFF-UHFFFAOYSA-N. Pictograms: GHS02,GHS05,GHS07. Signal Word: Danger. Hazard Statements: H226 - H302 - H314. Precautionary Statements: P210 - P233 - P280 - P301 + P312 - P303 + P361 + P353 - P305 + P351 + P338. Hazard Classifications: Acute Tox. 4 Oral - Flam. Liq. 3 - Skin Corr. 1B. Storage Class Code: 3 - Flammable liquids. WGK: WGK 3. Flash Point(F): 96.8 °F - closed cup. Flash Point(C): 36 °C - closed cup. Personal Protective Equipment: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter.