2-Methylglutaronitrile
ALDRICH/427519 - 99%
Synonym: α-Methylglutarodinitrile; α-Methylglutaronitrile; 1,3-Dicyanobutane; 2,4-Dicyanobutane; 2-
CAS Number: 4553-62-2
Empirical Formula (Hill Notation): C6H8N2
Molecular Weight: 108.14
EC Number: 224-923-5
MDL Number: MFCD00001875
Linear Formula: NCCH(CH3)CH2CH2CN
Product Type: Chemical
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 427519-1L.
| assay | 99% |
| bp | 269-271 °C (lit.) |
| density | 0.95 g/mL at 25 °C (lit.) |
| form | liquid |
| impurities | <0.1% benzene |
| InChI | 1S/C6H8N2/c1-6(5-8)3-2-4- |
| InChI key | FPPLREPCQJZDAQ-UHFFFAOYSA |
| mp | −45 °C (lit.) |
| refractive index | n |
| SMILES string | CC(CCC#N)C#N |
| solubility | water: soluble |
| Application: | 2-Methylglutaronitrile (MGN) may be used in the synthesis of 1,5-dimethyl-2-piperidone (1,5-DMPD) by chemoenzymatic process. |
| 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. |
| Packaging: | 1 L in glass bottle |
| Packaging: | 250 mL in glass bottle |
| Symbol |  GHS06 |
| Signal word | Danger |
| Hazard statements | H301 + H311 - H330 |
| Precautionary statements | P280 - P301 + P310 + P330 - P302 + P352 + P312 - P304 + P340 + P310 |
| Hazard Codes | T |
| Risk Statements | 21-23/25 |
| Safety Statements | 36/37/39-45 |
| RIDADR | UN 3276 6.1 / PGIII |
| WGK Germany | WGK 3 |
| Purity | 99% |
| bp | 269-271 °C (lit.) |
| mp | −45 °C (lit.) |
| Density | 0.95 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |