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CAS No.: | 14126-37-5 |
---|---|
Name: | BIS(TRIPHENYLPHOSPHINE)NICKEL(II) BROMIDE |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C36H30Br2NiP2 |
Molecular Weight: | 743.08 |
Synonyms: | Bis(triphenylphosphine)nickel dibromide;Bis(triphenylphosphine)dibromonickel;Bis(triphenylphosphino)nickeldibromide;Dibromobis(triphenylphosphine)nickel; |
Melting Point: | 219-223 °C(lit.) |
Boiling Point: | 360 °C at 760 mmHg |
Flash Point: | 181.7 °C |
Appearance: | dark green crystalline powder or crystals |
Hazard Symbols: | Xn |
Risk Codes: | 20/21/22 |
Safety: | 36/37 |
PSA: | 27.18000 |
LogP: | 8.58080 |
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This chemical is called Nickel(2+) dibromide - triphenylphosphane (1:2), and its CAS registry number is 14126-37-5. With the molecular formula of C36H30Br2NiP2, its product categories are Metal Compounds; Catalysis and Inorganic Chemistry; Chemical Synthesis. In addition, this chemical should be sealed in the ventilated and dry place, away from oxides.
Other characteristics of the Nickel(2+) dibromide - triphenylphosphane (1:2) can be summarised as followings: (1)ACD/LogP: 5.69; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.69; (4)ACD/LogD (pH 7.4): 5.69; (5)ACD/BCF (pH 5.5): 12427.96; (6)ACD/BCF (pH 7.4): 12427.96; (7)ACD/KOC (pH 5.5): 29672.91; (8)ACD/KOC (pH 7.4): 29672.91; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 13.59 Å2; (13)Flash Point: 181.7 °C; (14)Enthalpy of Vaporization: 58.18 kJ/mol; (15)Boiling Point: 360 °C at 760 mmHg; (16)Vapour Pressure: 4.74E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is harmful by inhalation, in contacting with skin and if swallowed. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: [Ni+2].[Br-].[Br-].c3c(P(c1ccccc1)c2ccccc2)cccc3.c1ccccc1P(c2ccccc2)c3ccccc3
2.InChI: InChI=1/2C18H15P.2BrH.Ni/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*1-15H;2*1H;/q;;;;+2/p-2
3.InChIKey: QEKXARSPUFVXIX-NUQVWONBAW