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

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• Prop­er­ties
• Safe­ty Data
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Iden­ti­fi­ca­tion

CAS Number

1772-25-4

Name

1,3,6-Hexanetricarbonitrile

Syn­onyms

(±)-1,3,6-HEXA­NET­RI­CAR­BONI­TRILE
1,3,6-Hexanetricarbonitrile [ACD/​Index Name] [ACD/IUPAC Name]
1,3,6-Hexanetricarbonitrile [French] [ACD/​Index Name] [ACD/IUPAC Name]
1,3,6-Hexantricarbonitril [Ger­man] [ACD/IUPAC Name]
1,3,6-TRI­CYANOHEXA­NE
1772-25-4 [RN]
217-199-7 [EINECS]
4-Cyanosuberoni­trile
UNII :SJY3YNQ3SI
(±)-1,3,6-HEXA­NET­RI­CAR­BONI­TRILE, TECH.
[1772-25-4] [RN]
hexane-1,3,6-tricarbonitrile
MFCD00129792

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

Pre­cau­tion­ary Statements

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 [2,3]. 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 [4]. 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 [5-7]. 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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