427519
2-甲基戊二腈
99%
别名:
α-甲基戊二腈, 1,3-二氰基丁烷, 2,4-二氰基丁烷, 2-甲基戊二腈, 二丙烯腈
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线性分子式:
NCCH(CH3)CH2CH2CN
化学文摘社编号:
分子量:
108.14
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
224-923-5
Beilstein/REAXYS Number:
1741955
MDL number:
产品名称
2-甲基戊二腈, 99%
InChI key
FPPLREPCQJZDAQ-UHFFFAOYSA-N
InChI
1S/C6H8N2/c1-6(5-8)3-2-4-7/h6H,2-3H2,1H3
SMILES string
CC(CCC#N)C#N
assay
99%
form
liquid
impurities
<0.1% benzene
refractive index
n20/D 1.434 (lit.)
bp
269-271 °C (lit.)
mp
−45 °C (lit.)
solubility
water: soluble
density
0.95 g/mL at 25 °C (lit.)
functional group
nitrile
Quality Level
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Application
2-甲基戊二腈（MGN）可用于通过化学酶法合成 1,5-二甲基-2-哌啶酮（1,5-DMPD）。
General description
2-甲基戊二腈（MGN）是脂肪族二腈。它是一种高沸点溶剂，主要用于纤维工业。它是己二腈合成过程中的副产物。已经研究了在二氧化硅负载的钯、铑和铂催化剂的存在下，使用2-甲基戊二腈和 2-乙基丁二腈的混合物通过气相加氢合成 β-甲基吡啶。通过密度泛函理论（DFT）计算了其核心电子结合能（CEBE）。据报道，其经腈水解酶催化水解形成 4-氰基戊酸。
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 2 Inhalation - Acute Tox. 3 Dermal - Acute Tox. 3 Oral
存储类别
6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
wgk
WGK 3
flash_point_f
239.0 °F - closed cup
flash_point_c
115 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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Catalysis Today, 37(2), 103-120 (1997)
Optimization of an immobilized-cell biocatalyst for production of 4-cyanopentanoic acid.
Hann EC, et al.
Organic Process Research & Development, 6(4), 492-496 (2002)
Accurate density functional calculation of core electron binding energies: Part V: application to nitriles. Model molecules for polyacrylonitrile revisited.
Bureau C, et al.
Journal of Electron Spectroscopy and Related Phenomena, 83(2), 227-234 (1997)
Chemoenzymatic production of 1, 5-dimethyl-2-piperidone.
Cooling FB, et al.
Journal of Molecular Catalysis. B, Enzymatic, 11(4), 295-306 (2001)
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