130621

Glutaronitrile

99%

• Synonym(s): 1,3-Dicyanopropane
• Linear Formula: NC(CH₂)₃CN
• CAS Number: 544-13-8
• Molecular Weight: 94.11
• Beilstein: 1738385
• EC Number: 208-861-6
• MDL number: MFCD00001970
• UNSPSC Code: 12352100
• PubChem Substance ID: 24847973
• NACRES: NA.22

Properties

• Quality Level: 200
• Assay: 99%
• form: liquid
• refractive index: n20/D 1.434 (lit.)
• bp: 285-287 °C (lit.)
• mp: −29 °C (lit.)
• solubility: H₂O: soluble; alcohol: soluble; chloroform: soluble
• density: 0.995 g/mL at 25 °C (lit.)
• functional group: nitrile
• SMILES string: N#CCCCC#N
• InChI: 1S/C5H6N2/c6-4-2-1-3-5-7/h1-3H2
• InChI key: ZTOMUSMDRMJOTH-UHFFFAOYSA-N

Description

Application

Glutaronitrile (1,3-Dicyanopropane) was used in the preparation of dicarbonyl compounds.

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).

Safety Information

• Pictograms: GHS06
• Signal Word: Danger
• Hazard Statements: H301
• Precautionary Statements: P264 - P270 - P301 + P310 - P405 - P501
• Hazard Classifications: Acute Tox. 3 Oral
• Storage Class Code: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 3
• Flash Point(F): 233.6 °F - closed cup
• Flash Point(C): 112 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves