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1,3,6-Hexanetricarbonitrile CAS 1772-25-4
- Identification

- Properties

- Safety Data

- Specifications & Other Information

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Identification

CAS Number

1772-25-4

Name

1,3,6-Hexanetricarbonitrile

Synonyms

(±)-1,3,6-HEXANETRICARBONITRILE1,3,6-Hexanetricarbonitrile 1,3,6-Hexanetricarbonitrile 1,3,6-Hexantricarbonitril 1,3,6-TRICYANOHEXANE1772-25-4 217-199-7 4-CyanosuberonitrileUNII:SJY3YNQ3SI(±)-1,3,6-HEXANETRICARBONITRILE, TECH. hexane-1,3,6-tricarbonitrileMFCD00129792

SMILES

C(CC#N)CC(CCC#N)C#N

StdInChI

InChI=1S/C9H11N3/c10-6-2-1-4-9(8-12)5-3-7-11/h9H,1-5H2

StdInChIKey

LNLFLMCWDHZINJ-UHFFFAOYSA-N

Molecular Formula

C9H11N3

Molecular Weight

161.204

MDL Number

MFCD00131222

Properties

Appearance

Light yellow to yellow oily liquid

Safety Data

Symbol

GHS08

Signal Word

Warning

Hazard statements

H334

Precautionary Statements

P261 - P284 - P501

Supplemental Hazard Statements 

Risk of explosion if heated under confinement.

RIDADR 

NONH for all modes of transport

WGK Germany

3

MSDS Download

Specifications and Other Information of Our

Identification Methods

HNMR, HPLC

Purity

99.5% min

Water C KF, 50%L07 DMC)

≤100ppm

Shelf Life

1 year

Storage

Store at room temperature away from light

Known Application

1,3,6-Hexanetricarbonitrile is an important electrolyte additive, and the composition of the electrolyte restricts the application of positive and negative electrode materials at high voltages. Traditional organic carbonates, such as linear carbonates like DEC, DMC, EMC, and cyclic carbonates like PC, EC, tend to undergo decomposition at high voltages . Therefore, the development of novel organic solvents with a wide electrochemical window, high lithium salt solubility, and low toxicity has become a key focus in the development of high-voltage electrolytes. Nitrile-based organic solvents typically possess a wide electrochemical window, high anodic stability, low viscosity, and high boiling points, among other excellent characteristics . Additionally, the decomposition products of solvents containing nitrile groups are generally carboxylates, aldehydes, or corresponding organic amines, eliminating the generation of toxic CN- ions during usage . Nitrile solvents demonstrate a broad electrochemical window and are considered promising new organic solvents. However, in terms of the electrochemical performance of lithium-ion batteries, nitrile solvents still face compatibility issues with the negative electrode. The formation of a mixed system with carbonate solvents or the addition of mixed salts like LiBOB can partially alleviate this issue.

General View of Documents

Links

This product is developed by our R&D company Warshel Chemical Ltd (https://www.warshel.com/).

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