Structure of Lithium Squarate CAS 104332-28-7

Iden­ti­fi­ca­tion

CAS Num­ber

104332-28-7

Name

Lithi­um Squarate

Syn­onyms

3,4-Dihydroxy-3-cyclobutene-1,2-dione dilithi­um salt
3,4-Dioxo-1-cyclobutène-1,2-diolate de dilithi­um
[French]
[IUPAC name – gen­er­at­ed by ACD/​Name]
3-Cyclobutene-1,2-dione, 3,4-dihydroxy-, lithi­um salt (1:2)
[Index name – gen­er­at­ed by ACD/​Name]
Dilithi­um 3,4-dioxo-1-cyclobutene-1,2-diolate
[IUPAC name – gen­er­at­ed by ACD/​Name]
Dilithi­um 3,4-dioxocyclobut-1-ene-1,2-diolate
Dilithi­um quadratate
Dilithi­um squarate
Dilithium-3,4-dioxo-1-cyclobuten-1,2-diolat
[Ger­man]
[IUPAC name – gen­er­at­ed by ACD/​Name]
lithi­um squarate
3,4-DIHYDROXY-3-CYCLOBUTENE-1,2-DIONE, DILITHI­UM SALT, 98
3,4-Dihydroxy-3-cyclobutene-1,2-dione,dilithium salt,98

SMILES

O=c1c([O-])c([O-])c1=O.[Li+].[Li+]

Std­InChI

InChI=1S/C4H2O4.2Li/c5-1-2(6)4(8)3(1)7;;/h5-6H;;/q;2*+1/p-2

Std­InChIKey

SOC­­JEFTZD­JUXNO-UHF­F­­FAOYSA-L

Mol­e­c­u­lar Formula

C4Li2O4

Mol­e­c­u­lar Weight

125.922

Prop­er­ties

Appear­ance

White pow­der

PH

7.5±0.5

Safe­ty Data

RIDADR 

NONH for all modes of transport

Spec­i­fi­ca­tions and Oth­er Infor­ma­tion of Our Lithi­um Squarate CAS 104332-28-7

Iden­ti­fi­ca­tion Methods

Per­mangano­met­ric Titration

Puri­ty

98% min

Spe­cif­ic Opti­cal Rotation

+31.0-+35.0

Shelf Life

1 year

Stor­age

Under room tem­per­a­ture away from light

Known Appli­ca­tion

  1. Lithi­um-Ion Bat­tery Cath­ode Pre­lithi­a­tion Addi­tive
    Used to com­pen­sate for active lithi­um loss dur­ing the ini­tial charge-dis­­charge cycles and sub­se­quent cycling of lithi­um-ion bat­ter­ies, there­by help­ing improve capac­i­ty retention.
  2. Lithi­um Iron Phos­phate (LFP) Bat­ter­ies
    For LFP pow­er bat­ter­ies and ener­gy stor­age bat­ter­ies, replen­ish­ing active lithi­um may help increase ini­tial usable capac­i­ty and improve capac­i­ty reten­tion dur­ing cycling.
  3. Pow­er Bat­ter­ies and Ener­gy Stor­age Bat­ter­ies
    Can be used in the devel­op­ment of pre­lithi­a­tion tech­nolo­gies for elec­tric vehi­cle pow­er bat­ter­ies and ener­gy stor­age bat­ter­ies. It may help bat­tery man­u­fac­tur­ers improve ini­tial lithi­um uti­liza­tion, capac­i­ty per­for­mance, and ser­vice-life-relat­ed met­rics. It is not intend­ed to serve as a direct replace­ment for con­ven­tion­al lithi­um salts used in electrolytes.
  4. Bat­tery Mate­ri­als Research and For­mu­la­tion Devel­op­ment
    Used to eval­u­ate the elec­tro­chem­i­cal reac­tions and pre­lithi­a­tion mech­a­nisms of lithi­um-con­­tain­ing com­pounds, their com­pat­i­bil­i­ty with cath­ode mate­ri­als, and the effects of dif­fer­ent addi­tive load­ings on bat­tery performance.

Advan­tages

  1. Com­pen­sa­tion for Active Lithi­um Loss
    The pri­ma­ry func­tion of pre­lithi­a­tion mate­ri­als is to com­pen­sate for lithi­um lost dur­ing bat­tery man­u­fac­tur­ing and ini­tial cycling. This may help improve ini­tial Coulom­bic effi­cien­cy and usable bat­tery capac­i­ty. The actu­al ben­e­fits should be ver­i­fied through com­par­a­tive cell testing.
  2. Poten­tial to Improve Capac­i­ty Reten­tion and Cycling Per­for­mance
    By com­pen­sat­ing for irre­versible lithi­um loss, pre­lithi­a­tion mate­ri­als may help slow the deple­tion of the cyclable lithi­um inven­to­ry, there­by improv­ing long-term capac­i­ty reten­tion. How­ev­er, bat­tery life is also affect­ed by elec­trode struc­ture, elec­trolyte com­po­si­tion, tem­per­a­ture, and charging/​discharging protocols.
  3. Poten­tial for Fur­ther Devel­op­ment and Opti­miza­tion
    The mate­r­i­al may be used in the devel­op­ment of nov­el pre­lithi­a­tion for­mu­la­tions and opti­mized in com­bi­na­tion with cath­ode mate­ri­als, elec­trolytes, and elec­trode man­u­fac­tur­ing process­es. It is suit­able for for­mu­la­tion screen­ing and per­for­mance val­i­da­tion by bat­tery mate­ri­als companies.
  4. Poten­tial­ly Improved Sta­bil­i­ty of Com­pos­ite Mate­ri­als
    Some sup­pli­ers have devel­oped graphene-based lithi­um squarate com­pos­ite pre­lithi­a­tion mate­ri­als and claim that these prod­ucts offer good envi­ron­men­tal sta­bil­i­ty and leave no sol­id residues after reac­tion. How­ev­er, these claims apply to spe­cif­ic com­pos­ite prod­ucts and should not be assumed to rep­re­sent the prop­er­ties of all lithi­um squarate prod­ucts, par­tic­u­lar­ly pure lithi­um squarate.

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

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