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1272-21-5

Basic Information
CAS No.: 1272-21-5
Name: TRIS(CYCLOPENTADIENYL)GADOLINIUM
Molecular Structure:
Molecular Structure of 1272-21-5 (TRIS(CYCLOPENTADIENYL)GADOLINIUM)
Formula: C15H15Gd
Molecular Weight: 352.5296
Synonyms: Tricyclopentadienylgadolinium;Tris(cyclopentadienyl)gadolinium;Tris(h5-cyclopentadienyl)gadolinium;Gadolinium tricyclopentadienide;Gadolinium,tri-p-cyclopentadienyl- (8CI);Gadolinium, tricyclopentadienyl- (7CI);
EINECS: 215-046-9
Melting Point: 295 °C (dec.)(lit.)
Boiling Point: 41.5 °C at 760 mmHg
Flash Point: 95 °F
Appearance: off-white pwdr.
Hazard Symbols: FlammableF
Risk Codes: 11-14/15
Safety: 43-7/8
Transport Information: UN 3395
PSA: 0.00000
LogP: 3.06450
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Specification

The Gadolinium, tris(h5-2,4-cyclopentadien-1-yl)-, with CAS registry number 1272-21-5, belongs to the following product categories: (1)Catalysis and Inorganic Chemistry; (2)Chemical Synthesis; (3)Gadolinium; (4)GadoliniumVapor Deposition Precursors; (5)Precursors by Metal. It has the systematic name of gadolinium tricyclopenta-2,4-dienide. And the chemical formula of this chemical is C15H15Gd. What's more, its EINECS is 215-046-9.

Physical properties of Gadolinium, 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 Gadolinium, tris(h5-2,4-cyclopentadien-1-yl)- is highly flammable. It may react 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 dry.

You can still convert the following datas into molecular structure:
(1)SMILES: [Gd+3].[c-]1cccc1.c1[c-]ccc1.c1[c-]ccc1
(2)InChI: InChI=1/3C5H5.Gd/c3*1-2-4-5-3-1;/h3*1-5H;/q3*-1;+3
(3)InChIKey: YAYGFOZNMGYPRE-UHFFFAOYAS
(4)Std. InChI: InChI=1S/3C5H5.Gd/c3*1-2-4-5-3-1;/h3*1-5H;/q3*-1;+3
(5)Std. InChIKey: YAYGFOZNMGYPRE-UHFFFAOYSA-N