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| CAS No.: | 36554-90-2 |
|---|---|
| Name: | INDIUM TRIFLUOROACETATE |
| Molecular Structure: | |
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| Formula: | C6F9InO6 |
| Molecular Weight: | 453.8642 |
| Synonyms: | Aceticacid, trifluoro-, indium(3+) salt (9CI);Indium tris(trifluoroacetate);Indium(3+) trifluoroacetate;Indium(III) trifluoroacetate; |
| Boiling Point: | 72.2 °C at 760 mmHg |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 78.90000 |
| LogP: | 1.66860 |
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Specification
The Acetic acid,2,2,2-trifluoro-, indium(3+) salt (3:1), with the CAS registry number 36554-90-2, has the systematic name of indium tris(trifluoroacetate). It is a kind of irritant chemical, and should be stored in the dry and cool environment. The molecular formula of the chemical is C6F9InO6.
The characteristics of Acetic acid,2,2,2-trifluoro-, indium(3+) salt (3:1) are as followings: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.49; (4)ACD/LogD (pH 7.4): -2.51; (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: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 37.3 Å2; (13)Enthalpy of Vaporization: 34.62 kJ/mol; (14)Boiling Point: 72.2 °C at 760 mmHg; (15)Vapour Pressure: 96.2 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [In+3].O=C([O-])C(F)(F)F.FC(F)(F)C([O-])=O.FC(F)(F)C([O-])=O
(2)InChI: InChI=1/3C2HF3O2.In/c3*3-2(4,5)1(6)7;/h3*(H,6,7);/q;;;+3/p-3
(3)InChIKey: VRDNAHLDDUCBMP-DFZHHIFOAR