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CAS No.: | 1298-53-9 |
---|---|
Name: | TRIS(CYCLOPENTADIENYL)CERIUM |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C15H15Ce |
Molecular Weight: | 335.404 |
Synonyms: | Cerium,tri-p-cyclopentadienyl- (8CI);Cerium,tricyclopentadienyl- (7CI);Tris(cyclopentadienyl)cerium;Tris(h5-cyclopentadienyl)cerium; |
EINECS: | 215-073-6 |
Melting Point: | 300 °C (dec.)(lit.) |
Boiling Point: | 41.5 °C at 760 mmHg |
Flash Point: | >230 °F |
Appearance: | yellow-brown powder |
Hazard Symbols: | F |
Risk Codes: | 11-14/15 |
Safety: | 43-7/8 |
Transport Information: | UN 3395 |
PSA: | 0.00000 |
LogP: | 3.06450 |
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The Cerium, tris(h5-2,4-cyclopentadien-1-yl)-, with CAS registry number 1298-53-9, has the systematic name of cerium(3+) tricyclopenta-2,4-dienide. This chemical is a kind of yellow-brown powder. And it should be kept in cool, dry place in tightly closed containers. And the chemical formula of this chemical is C15H15Ce. What's more, its EINECS is 215-073-6.
Physical properties of Cerium, tris(h5-2,4-cyclopentadien-1-yl)-: (1)ACD/LogP: 1.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.79; (4)ACD/LogD (pH 7.4): 1.79; (5)ACD/BCF (pH 5.5): 13.44; (6)ACD/BCF (pH 7.4): 13.44; (7)ACD/KOC (pH 5.5): 223.49; (8)ACD/KOC (pH 7.4): 223.49; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Enthalpy of Vaporization: 27.4 kJ/mol; (14)Boiling Point: 41.5 °C at 760 mmHg; (15)Vapour Pressure: 418 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Cerium, tris(h5-2,4-cyclopentadien-1-yl)- is highly flammable. It reacts violently with water. When contact with water, it may liberate extremely flammable gases. In case of fire use ... (there follows the type of fire-fighting equipment to be used.) You should keep its container tightly closed and keep it container dry.
You can still convert the following datas into molecular structure:
(1)SMILES: [Ce+3].[c-]1cccc1.c1[c-]ccc1.c1[c-]ccc1
(2)InChI: InChI=1/3C5H5.Ce/c3*1-2-4-5-3-1;/h3*1-5H;/q3*-1;+3
(3)InChIKey: KDGBXTFCUISDFL-UHFFFAOYAH
(4)Std. InChI: InChI=1S/3C5H5.Ce/c3*1-2-4-5-3-1;/h3*1-5H;/q3*-1;+3
(5)Std. InChIKey: KDGBXTFCUISDFL-UHFFFAOYSA-N