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Lithium citrate tetrahydrate

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Name

Lithium citrate tetrahydrate

EINECS 213-045-8
CAS No. 6080-58-6 Density 1.64 at 20℃
PSA 177.54000 LogP -5.50980
Solubility water: 1 M at 20 °C, clear, colorless Melting Point 112 °C
Formula C6H13Li3O11 Boiling Point 309.6 °C at 760 mmHg
Molecular Weight 281.98 Flash Point 155.2 °C
Transport Information N/A Appearance white crystalline powder
Safety S24 S25 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 6080-58-6 (Lithium citrate tetrahydrate) Hazard Symbols IrritantXi
Synonyms

1,2,3-Propanetricarboxylicacid, 2-hydroxy-, trilithium salt, tetrahydrate (9CI);Trilithium citratetetrahydrate;

 

Lithium citrate tetrahydrate Specification

This chemical is called 1,2,3-Propanetricarboxylicacid, 2-hydroxy-, lithium salt, hydrate (1:3:4), and its systematic name is trilithium 2-hydroxypropane-1,2,3-tricarboxylate tetrahydrate. With the molecular formula of C6H13Li3O11, its molecular weight is 281.98. The CAS registry number of this chemical is 6080-58-6.

Other characteristics of the 1,2,3-Propanetricarboxylicacid, 2-hydroxy-, lithium salt, hydrate (1:3:4) can be summarised as followings: (1)ACD/LogP: -1.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -6.53; (4)ACD/LogD (pH 7.4): -7.46; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 121.13 Å2.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: [Li+].[Li+].[Li+].O=C([O-])CC(O)(C([O-])=O)CC(=O)[O-].O.O.O.O
2.InChI: InChI=1/C6H8O7.3Li.4H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;4*1H2/q;3*+1;;;;/p-3
3.InChIKey: HXGWMCJZLNWEBC-DFZHHIFOAY

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