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| CAS No.: | 10199-34-5 |
|---|---|
| Name: | Bis(triphenylphosphine)platinum chloride |
| Molecular Structure: | |
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| Formula: | C36H30Cl2P2Pt |
| Molecular Weight: | 790.568 |
| Synonyms: | Bis(triphenylphosphine)dichloroplatinum;Bis(triphenylphosphine)platinum dichloride;Dichlorobis(triphenylphosphine)platinum;Dichlorobis(triphenylphosphine)platinum(II);NSC 168797;cis-Dichlorobis(triphenylphosphine)platinum (II); |
| EINECS: | 233-495-9 |
| Melting Point: | 308 °C (decomp) |
| Boiling Point: | 360 °C at 760 mmHg |
| Flash Point: | 181.7 °C |
| PSA: | 27.18000 |
| LogP: | -5.09690 |
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Specification
The IUPAC name of Bis(triphenylphosphine)platinum chloride is Platinum(2+); triphenylphosphane; dichloride. With the CAS registry number 10199-34-5, it is also named as cis-Dichlorobis(triphenylphosphine)platinum (II). In addition, its molecular formula is C36H30Cl2P2Pt and its molecular weight is 790.55.
The other characteristics of Bis(triphenylphosphine)platinum chloride can be summarized as: (1)EINECS: 233-495-9; (2)ACD/LogP: 5.69; (3)# of Rule of 5 Violations: 1; (4)ACD/LogD (pH 5.5): 5.69; (5)ACD/LogD (pH 7.4): 5.69; (6)ACD/BCF (pH 5.5): 12427.96; (7)ACD/BCF (pH 7.4): 12427.96; (8)ACD/KOC (pH 5.5): 29672.91; (9)ACD/KOC (pH 7.4): 29672.91; (10)H bond acceptors: 0; (11)H bond donors: 0; (12)Freely Rotating Bonds: 3; (13)Polar Surface Area: 13.59 Å2; (14)Rotatable Bond Count: 6; (15)Exact Mass: 789.084753; (16)MonoIsotopic Mass: 789.084753; (17)Heavy Atom Count: 41; (18)Complexity: 202; (19)Flash Point: 181.7 °C; (20)Enthalpy of Vaporization: 58.18 kJ/mol; (21)Boiling Point: 360 °C at 760 mmHg; (22)Vapour Pressure: 4.74E-05 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:[Pt+2].[Cl-].[Cl-].c3c(P(c1ccccc1)c2ccccc2)cccc3.c1ccccc1P(c2ccccc2)c3ccccc3
(2)InChI:InChI=1/2C18H15P.2ClH.Pt/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:XAFJSPPHVXDRIE-NUQVWONBAT
(4)Std. InChI:InChI=1S/2C18H15P.2ClH.Pt/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
(5)Std. InChIKey:XAFJSPPHVXDRIE-UHFFFAOYSA-L