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CAS No.: | 6080-58-6 |
---|---|
Name: | Lithium citrate tetrahydrate |
Molecular Structure: | |
Formula: | C6H13Li3O11 |
Molecular Weight: | 281.98 |
Synonyms: | 1,2,3-Propanetricarboxylicacid, 2-hydroxy-, trilithium salt, tetrahydrate (9CI);Trilithium citratetetrahydrate; |
EINECS: | 213-045-8 |
Density: | 1.64 at 20℃ |
Melting Point: | 112 °C |
Boiling Point: | 309.6 °C at 760 mmHg |
Flash Point: | 155.2 °C |
Solubility: | water: 1 M at 20 °C, clear, colorless |
Appearance: | white crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | S24 S25 26-36 |
PSA: | 177.54000 |
LogP: | -5.50980 |
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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