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Also known as: 19999-87-2, Bis(tricyclohexylphosphine)nickel(ii) dichloride, Dichloronickel;tricyclohexylphosphane, Nicl2(pcy3)2, Nickel, dichlorobis(tricyclohexylphosphine)-, Schembl10961446

Molecular Formula

C₃₆H₆₆Cl₂NiP₂

Molecular Weight

690.5 g/mol

InChI Key

YOCBOYPGZVFUCQ-UHFFFAOYSA-L

1 2D Structure

CAS 19999-87-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

dichloronickel;tricyclohexylphosphane

2.1.2 InChI

InChI=1S/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

2.1.3 InChI Key

YOCBOYPGZVFUCQ-UHFFFAOYSA-L

2.1.4 Canonical SMILES

C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.Cl[Ni]Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 19999-87-2

2. Bis(tricyclohexylphosphine)nickel(ii) Dichloride

3. Dichloronickel;tricyclohexylphosphane

4. Nicl2(pcy3)2

5. Nickel, Dichlorobis(tricyclohexylphosphine)-

6. Schembl10961446

7. Dtxsid101102993

8. Mfcd11973802

9. Akos027250708

10. Sc10009

11. Ft-0696280

12. A879894

13. J-012932

14. Bis(tricyclohexylphosphine)nickel(ii) Dichloride, 97%

15. Bis(tricyclohexylphosphine)nickel(ii) Chloride;bis(tricyclohexylphosphine)nickel(ii) Dichloride;dichlorobis(tricyclohexylphosphine)nickel(ii)

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₃₆H₆₆Cl₂NiP₂
Molecular Weight	690.5 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	6
Exact Mass	688.337023 g/mol
Monoisotopic Mass	688.337023 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	41
Formal Charge	0
Complexity	204
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3

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