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| CAS No.: | 18323-96-1 |
|---|---|
| Name: | TRIS(6,6,7,7,8,8,8-HEPTAFLUORO-2,2-DIMETHYL-3,5-OCTANEDIONATO)YTTERBIUM |
| Molecular Structure: | |
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| Formula: | C30H30F21O6Yb |
| Molecular Weight: | 1058.56 |
| Synonyms: | Ytterbium,tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato)- (8CI);Ytterbium,tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato-O,O')-;Ytterbium, tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato-kO,kO')- (9CI);3,5-Octanedione,6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-, ytterbium complex;Tris(1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-4,6-octanedionato)ytterbium;Tris(2,2-dimethyl-6,6,7,7,8,8,8-heptafluoro-3,5-octanedionato)ytterbium;Tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato)ytterbium; |
| EINECS: | 242-211-2 |
| Melting Point: | 108-111 °C(lit.) |
| Boiling Point: | 200.3 °C at 760 mmHg |
| Flash Point: | 74.9 °C |
| Solubility: | Slowly degrades in water and soluble in hydrocarbons, alcohols, ketones, esters. |
| Appearance: | off-white to yellow crystalline powder |
| Risk Codes: | 36/37/38 |
| Safety: | 24/25 |
| PSA: | 78.90000 |
| LogP: | 11.39790 |
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Specification
The Ytterbium,tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato-kO3,kO5)-, with the CAS registry number 18323-96-1, is also known as Tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-4,6-dionato)ytterbium. Its EINECS registry number is 242-211-2. This chemical's molecular formula is C30H30F21O6Yb and molecular weight is 1058.562067. Its IUPAC name is called (Z)-6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxooct-3-en-3-olate; (E)-6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxooct-3-en-3-olate;
ytterbium(3+).
Physical properties of Ytterbium,tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato-kO3,kO5)-: (1)ACD/LogP: 6.16; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.15; (4)ACD/LogD (pH 7.4): 6.11; (5)ACD/BCF (pH 5.5): 27984.78; (6)ACD/BCF (pH 7.4): 25178.93; (7)ACD/KOC (pH 5.5): 53029.3; (8)ACD/KOC (pH 7.4): 47712.41; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Flash Point: 74.9 °C; (13)Enthalpy of Vaporization: 50.79 kJ/mol; (14)Boiling Point: 200.3 °C at 760 mmHg; (15)Vapour Pressure: 0.0812 mmHg at 25°C.
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 must avoid contacting it with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: [Yb+3].FC(F)(C(=O)/C=C(\[O-])C(C)(C)C)C(F)(F)C(F)(F)F.FC(F)(F)C(F)(F)C(F)(F)C(=O)\C=C(\[O-])C(C)(C)C.FC(F)(F)C(F)(F)C(F)(F)C(=O)\C=C(\[O-])C(C)(C)C
(2)InChI: InChI=1/3C10H11F7O2.Yb/c3*1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;/h3*4,18H,1-3H3;/q;;;+3/p-3/b2*5-4+;5-4-
(3)InChIKey: KZBQCXBCJMHJOB-DDADBFNZBL