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CAS No.: | 64741-27-1 |
---|---|
Name: | 2,6-BIS(DIPHENYLPHOSPHINO)PYRIDINE |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C29H23NP2 |
Molecular Weight: | 447.456 |
Synonyms: | 2,6-Bis(diphenylphosphino)pyridine;[6-(diphenylphosphino)(2-pyridyl)]diphenylphosphine; |
Melting Point: | 124-125 °C |
Boiling Point: | 563.8 °C at 760 mmHg |
Flash Point: | 294.8 °C |
PSA: | 40.07000 |
LogP: | 4.59800 |
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The CAS register number of Pyridine,2,6-bis(diphenylphosphino)- is 64741-27-1. It also can be called as [6-(diphenylphosphino)(2-pyridyl)]diphenylphosphine and the systematic name about this chemical is 2,6-bis(diphenylphosphanyl)pyridine. The molecular formula about this chemical is C29H23NP2 and the molecular weight is 447.447142.
Physical properties about Pyridine,2,6-bis(diphenylphosphino)- are: (1)ACD/LogP: 7.67; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.67; (4)ACD/LogD (pH 7.4): 7.67; (5)ACD/BCF (pH 5.5): 397042.41; (6)ACD/BCF (pH 7.4): 397042.84; (7)ACD/KOC (pH 5.5): 354176.78; (8)ACD/KOC (pH 7.4): 354177.16; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 40.07 Å2; (12)Flash Point: 294.8 °C; (13)Enthalpy of Vaporization: 81.57 kJ/mol; (14)Boiling Point: 563.8 °C at 760 mmHg; (15)Vapour Pressure: 3.73E-12 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: n1c(cccc1P(c2ccccc2)c3ccccc3)P(c4ccccc4)c5ccccc5
(2)InChI: InChI=1/C29H23NP2/c1-5-14-24(15-6-1)31(25-16-7-2-8-17-25)28-22-13-23-29(30-28)32(26-18-9-3-10-19-26)27-20-11-4-12-21-27/h1-23H
(3)InChIKey: UNCDYUGALDQNLL-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C29H23NP2/c1-5-14-24(15-6-1)31(25-16-7-2-8-17-25)28-22-13-23-29(30-28)32(26-18-9-3-10-19-26)27-20-11-4-12-21-27/h1-23H
(5)Std. InChIKey: UNCDYUGALDQNLL-UHFFFAOYSA-N