125954

ジクロロアセトニトリル

98%

• 別名: 2,2-Dichloroacetonitrile, Dichloromethyl cyanide
• 化学式: Cl₂CHCN
• CAS番号: 3018-12-0
• 分子量: 109.94
• Beilstein: 1739029
• EC Number: 221-159-4
• MDL番号: MFCD00040886
• UNSPSCコード: 12352100
• PubChem Substance ID: 24847689
• NACRES: NA.22

特性

• 品質水準: 100
• アッセイ: 98%
• フォーム: liquid
• 屈折率: n20/D 1.44 (lit.)
• bp: 110-112 °C (lit.)
• 密度: 1.369 g/mL at 25 °C (lit.)
• SMILES記法: ClC(Cl)C#N
• InChI: 1S/C2HCl2N/c3-2(4)1-5/h2H
• InChI Key: STZZWJCGRKXEFF-UHFFFAOYSA-N

詳細

アプリケーション

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.

生物化学的／生理学的作用

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.

安全性情報

• ピクトグラム: GHS02,GHS05,GHS07
• シグナルワード: Danger
• 危険有害性情報: H226,H302,H314
• 注意書き: P210 - P233 - P280 - P301 + P312 - P303 + P361 + P353 - P305 + P351 + P338
• 危険有害性の分類: Acute Tox. 4 Oral - Flam. Liq. 3 - Skin Corr. 1B
• 保管分類コード: 3 - Flammable liquids
• WGK: WGK 3
• 引火点(°F): 96.8 °F - closed cup
• 引火点(℃): 36 °C - closed cup
• 個人用保護具 (PPE): Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter