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Glutaronitrile

Catalog Number
ACM544138
CAS Number
544-13-8
Product Name
Glutaronitrile
Structure
Category
Battery Materials; Electronic Materials
IUPAC Name
pentanedinitrile
Molecular Weight
94.11g/mol
Molecular Formula
C5H6N2
Canonical SMILES
C(CC#N)CC#N
InChI
InChI=1S/C5H6N2/c6-4-2-1-3-5-7/h1-3H2
InChI Key
ZTOMUSMDRMJOTH-UHFFFAOYSA-N
Boiling Point
286.0 °C
Melting Point
-29.0 °C
Solubility
10.62 M
Application
Glutaronitrile serves multiple purposes in diverse applications. It is a clear, colorless to yellow liquid primarily used as an electrolyte additive in high energy and power lithium-ion batteries, enhancing their performance and longevity. Additionally, it acts as a glutarate ligand source, essential in the preparation of zinc glutarate (ZnGA) through its reaction with zinc perchlorate hexahydrate. Furthermore, Glutaronitrile is a vital reactant in synthesizing pentanedithioamide, achieved by its interaction with Lawesson's reagent in the presence of boron trifluoride etherate (BF3.OEt2).
Complexity
104
Covalently-Bonded Unit Count
1
EC Number
208-861-6
Exact Mass
94.053098g/mol
Formal Charge
0
Heavy Atom Count
7
Log P
-0.72 (LogP)
Monoisotopic Mass
94.053098g/mol
NSC Number
3807
Rotatable Bond Count
2
UNII
01ZI68F3CQ
Vapor Pressure
0.01 mmHg
XLogP3
-0.7
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