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| CAS No.: | 19999-87-2 |
|---|---|
| Name: | Bis(tricyclohexylphosphine)nickel(II) chloride, 99% |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C36H66Cl2NiP2 |
| Molecular Weight: | 690.464 |
| Synonyms: | Dichloronickel - tricyclohexylphosphane (1:2); |
| Melting Point: | 227-231℃ (DEC.) |
| Boiling Point: | 383.4 °C at 760 mmHg |
| Flash Point: | 195.6 °C |
| Appearance: | dark red-purple |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-40-43 |
| Safety: | 53-36/37-45-60 |
| PSA: | 27.18000 |
| LogP: | 14.31180 |
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Specification
The Bis(tricyclohexylphosphine)nickel(II) chloride, with the CAS registry number 19999-87-2, has the systematic name dichloronickel - tricyclohexylphosphane (1:2). Its molecular formula is C36H66Cl2NiP2 and its molecular weight is 690.46.
Other characteristics of the Bis(tricyclohexylphosphine)nickel(II) chloride can be summarised as followings: (1)ACD/LogP: 7.00; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7; (4)ACD/LogD (pH 7.4): 7; (5)ACD/BCF (pH 5.5): 122279; (6)ACD/BCF (pH 7.4): 122279; (7)ACD/KOC (pH 5.5): 152442; (8)ACD/KOC (pH 7.4): 152442; (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: 195.6 °C; (14)Enthalpy of Vaporization: 60.72 kJ/mol; (15)Boiling Point: 383.4 °C at 760 mmHg; (16)Vapour Pressure: 9.7E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Cl[Ni]Cl.P(C1CCCCC1)(C2CCCCC2)C3CCCCC3.P(C1CCCCC1)(C2CCCCC2)C3CCCCC3
2.InChI: InChI=1/2C18H33P.2ClH.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*16-18H,1-15H2;2*1H;/q;;;;+2/p-2
3.InChIKey: YOCBOYPGZVFUCQ-NUQVWONBAO