427519
2-Methylglutaronitrile
99%
Synonym(s):
α-Methylglutarodinitrile, α-Methylglutaronitrile, 1,3-Dicyanobutane, 2,4-Dicyanobutane, 2-Methylpentanedinitrile, Diacrylonitrile
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About This Item
Linear Formula:
NCCH(CH3)CH2CH2CN
CAS Number:
Molecular Weight:
108.14
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
224-923-5
Beilstein/REAXYS Number:
1741955
MDL number:
Assay:
99%
Form:
liquid
Quality Level
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
SMILES string
CC(CCC#N)C#N
InChI
1S/C6H8N2/c1-6(5-8)3-2-4-7/h6H,2-3H2,1H3
InChI key
FPPLREPCQJZDAQ-UHFFFAOYSA-N
General description
2-Methylglutaronitrile (MGN) is an aliphatic dinitrile. It is a high boiling solvent mainly used in the fiber industry. It is formed as a byproduct during the synthesis of adiponitrile. Synthesis of β-picoline using a mixture of 2-methylglutaronitrile and 2-ethylsuccinonitrile in the presence of silica-supported palladium, rhodium and platinum catalysts by vapour phase hydrogenation has been studied. Its core electron binding energy (CEBE) has been calculated via density functional theory (DFT). It has been reported to undergo hydrolysis catalyzed by nitrilase to form 4-cyanopentanoic acid.
Application
2-Methylglutaronitrile (MGN) may be used in the synthesis of 1,5-dimethyl-2-piperidone (1,5-DMPD) by chemoenzymatic process.
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 2 Inhalation - Acute Tox. 3 Dermal - Acute Tox. 3 Oral
Storage Class
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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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)
Synthesis of ?-picoline from 2-methylglutaronitrile over supported noble metal catalysts II. Influence of operation parameters.
Lanini S and Prins R.
Applied Catalysis A: General, 137(2), 307-326 (1996)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 427519-250ML | 04061832104591 |
| 427519-1L | 04061838349286 |