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关于此项目
线性分子式:
Cl2CHCN
化学文摘社编号:
分子量:
109.94
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
221-159-4
Beilstein/REAXYS Number:
1739029
MDL number:
Assay:
98%
Form:
liquid
Quality Segment
assay
98%
form
liquid
refractive index
n
bp
110-112 °C (lit.)
density
1.369 g/mL at 25 °C (lit.)
functional group
nitrile
SMILES string
ClC(Cl)C#N
InChI
1S/C2HCl2N/c3-2(4)1-5/h2H
InChI key
STZZWJCGRKXEFF-UHFFFAOYSA-N
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.
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Flam. Liq. 3 - Skin Corr. 1B
存储类别
3 - Flammable liquids
wgk
WGK 3
flash_point_f
96.8 °F - closed cup
flash_point_c
36 °C - closed cup
ppe
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter


