Basic information
- Name:
Ytterbium,tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato-kO3,kO5)-
- Superlist Name:
- Ytterbium 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionate
- CAS No.:
18323-96-1
- Molecular Structure:
- 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
- Appearance:
- off-white to yellow crystalline powder
- Risk Codes:
- 36/37/38
- Safety Description:
- 24/25 Details
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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