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CAS No.: | 1273-98-9 |
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Name: | TRIS(CYCLOPENTADIENYL)NEODYMIUM |
Molecular Structure: | |
Formula: | C15H15Nd |
Molecular Weight: | 339.5216 |
Synonyms: | Neodymium,tri-p-cyclopentadienyl- (8CI);Neodymium, tricyclopentadienyl- (7CI);Tricyclopentadienylneodymium;Tris(cyclopentadienyl)neodymium;Tris(h5-cyclopentadienyl)neodymium; |
EINECS: | 215-057-9 |
Melting Point: | ~235 °C(lit.) |
Boiling Point: | 41.5 °C at 760 mmHg |
Flash Point: | 168 °F |
Appearance: | blue to lilac 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 Neodymium, tris(h5-2,4-cyclopentadien-1-yl)-, with CAS registry number 1273-98-9, has the systematic name of neodymium tricyclopenta-2,4-dienide. Besides this, it is also called Tris(cyclopentadienyl)neodymium. This chemical is a kind of blue to lilac powder. And the chemical formula of this chemical is C15H15Nd.
Physical properties of Neodymium, 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 Neodymium, tris(h5-2,4-cyclopentadien-1-yl)- is highly flammable. And it reacts violently with water. When contacts with water, it may liberate extremely flammable gases. In case of fire use ... (there follows the type of fire-fighting equipment to be used.) And you should keep its container tightly closed and keep its container dry.
You can still convert the following datas into molecular structure:
(1)SMILES: [Nd+3].[c-]1cccc1.c1[c-]ccc1.c1[c-]ccc1
(2)InChI: InChI=1/3C5H5.Nd/c3*1-2-4-5-3-1;/h3*1-5H;/q3*-1;+3
(3)InChIKey: JQMGKZUFOXNIOS-UHFFFAOYAE
(4)Std. InChI: InChI=1S/3C5H5.Nd/c3*1-2-4-5-3-1;/h3*1-5H;/q3*-1;+3
(5)Std. InChIKey: JQMGKZUFOXNIOS-UHFFFAOYSA-N