Glutaronitrile
ALDRICH/130621 - 99%
Synonym: 1,3-Dicyanopropane
CAS Number: 544-13-8
Empirical Formula (Hill Notation): C5H6N2
Molecular Weight: 94.11
EC Number: 208-861-6
MDL Number: MFCD00001970
Linear Formula: NC(CH2)3CN
Product Type: Chemical
| assay | 99% |
| bp | 285-287 °C (lit.) |
| density | 0.995 g/mL at 25 °C (lit.) |
| form | liquid |
| functional group | nitrile |
| InChI | 1S/C5H6N2/c6-4-2-1-3-5-7/ |
| InChI key | ZTOMUSMDRMJOTH-UHFFFAOYSA |
| mp | −29 °C (lit.) |
| Quality Level | 200  |
| refractive index | n |
| SMILES string | N#CCCCC#N |
| solubility | alcohol: soluble |
| chloroform: soluble | |
| H2O: soluble |
| Application: | Glutaronitrile (1,3-Dicyanopropane) was used in the preparation of dicarbonyl compounds. |
| Application: | Glutaronitrile can be used as: • An electrolyte additive in high energy/power Li-ion batteries. • A glutarate ligand source to prepare zinc glutarate (ZnGA) by reacting with zinc perchlorate hexahydrate. • A reactant to synthesize pentanedithioamide by reacting with Lawesson′s reagent in the presence of boron trifluoride etherate (BF3.OEt2). |
| Packaging: | 25, 100 mL in glass bottle |
| Symbol |  GHS06 |
| Signal word | Danger |
| Hazard statements | H301 |
| Precautionary statements | P301 + P310 + P330 |
| Hazard Codes | Xn |
| Risk Statements | 20/21/22 |
| Safety Statements | 36/37 |
| RIDADR | UN 3276 6.1 / PGIII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 233.6 °F |
| Flash Point(C) | 112 °C |
| Purity | 99% |
| bp | 285-287 °C (lit.) |
| mp | −29 °C (lit.) |
| Density | 0.995 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |