125954

Dichloroacetonitrile

98%

• 동의어(들): 2,2-Dichloroacetonitrile, Dichloromethyl cyanide
• Linear Formula: Cl₂CHCN
• CAS Number: 3018-12-0
• Molecular Weight: 109.94
• Beilstein: 1739029
• EC Number: 221-159-4
• MDL number: MFCD00040886
• UNSPSC 코드: 12352100
• PubChem Substance ID: 24847689
• NACRES: NA.22

속성

• Quality Level: 100
• 분석: 98%
• 양식: 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

설명

애플리케이션

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.

생화학적/생리학적 작용

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.

안전성 정보

• 픽토그램: GHS02,GHS05,GHS07
• 신호어: Danger
• 유해 및 위험 성명서: H226,H302,H314
• 예방조치 성명서: 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
• 개인 보호 장비: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter