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CAS No.: | 1293-95-4 |
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Name: | BIS(METHYLCYCLOPENTADIENYL)NICKEL |
Molecular Structure: | |
Formula: | C12H14Ni |
Molecular Weight: | 216.9363 |
Synonyms: | Nickel,bis(methyl-p-cyclopentadienyl)- (8CI);Nickel, bis(methylcyclopentadienyl)- (6CI,7CI);1,1'-Dimethylnickelocene;Bis(methylcyclopentadienyl)nickel; |
Melting Point: | 34-36 °C(lit.) |
Boiling Point: | 80.4 °C at 760 mmHg |
Flash Point: | 150 °F |
Hazard Symbols: | Xn |
Risk Codes: | 20/21/22 |
Safety: | 16-33-36 |
PSA: | 0.00000 |
LogP: | 2.82320 |
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The Nickelocene,1,1'-dimethyl-, with CAS registry number 1293-95-4, belongs to the following product categories: (1)Catalysis and Inorganic Chemistry; (2)Chemical Synthesis. It has the systematic name of 5-methylcyclopenta-1,3-diene; methylcyclopentane; nickel. And the chemical formula of this chemical is C12H14Ni.
Physical properties of Nickelocene,1,1'-dimethyl-: (1)ACD/LogP: 2.28; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 0 Å2; (7)Enthalpy of Vaporization: 30.78 kJ/mol; (8)Boiling Point: 80.4 °C at 760 mmHg; (9)Vapour Pressure: 94.8 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Nickelocene,1,1'-dimethyl- is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. And you should keep it away from sources of ignition. During using it, take precautionary measures against static discharges.
You can still convert the following datas into molecular structure:
(1)SMILES: [Ni].[CH-]1[CH-][C-]([CH-][CH-]1)C.c1[c-](ccc1)C
(2)InChI: InChI=1/2C6H7.Ni/c2*1-6-4-2-3-5-6;/h2*2-5H,1H3;/q-5;-1
(3)InChIKey: GVTZWSVNFREVHH-UHFFFAOYAR
(4)Std. InChI: InChI=1S/2C6H7.Ni/c2*1-6-4-2-3-5-6;/h2*2-5H,1H3;/q-5;-1
(5)Std. InChIKey: GVTZWSVNFREVHH-UHFFFAOYSA-N