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528521-86-0

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Basic Information
CAS No.: 528521-86-0
Name: (R)-(+)-7,7'-BIS(DIPHENYLPHOSPHINO)-2,2',3,3'-TETRAHYDRO-1,1'-SPIROBIINDANE
Molecular Structure:
Molecular Structure of 528521-86-0 ((R)-(+)-7,7'-BIS(DIPHENYLPHOSPHINO)-2,2',3,3'-TETRAHYDRO-1,1'-SPIROBIINDANE)
Formula: C41H34P2
Molecular Weight: 588.668
Synonyms: Phosphine,[(1S)-2,2',3,3'-tetrahydro-1,1'-spirobi[1H-indene]-7,7'-diyl]bis[diphenyl-(9CI);Phosphine,1,1'-[(1S)-2,2',3,3'-tetrahydro-1,1'-spirobi[1H-indene]-7,7'-diyl]bis[1,1-diphenyl-;
Melting Point: 206-208 °C
Boiling Point: 690.2 °C at 760 mmHg
Flash Point: 396.691 °C
PSA: 27.18000
LogP: 7.38150
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Specification

The (S)-7, 7'-Bis(diphenylphosphino)-1, 1'-spirobiindane, with the CAS registry number 528521-86-0, is also known as Phosphine, [(1S)-2, 2', 3, 3'-tetrahydro-1, 1'-spirobi[1H-indene]-7, 7'-diyl]bis[diphenyl- (9CI). This chemical's molecular formula is C41H34P2 and molecular weight is 588.66. What's more, its systematic name is 7'-(Diphenylphosphanyl)-2, 2', 3, 3'-tetrahydro-1, 1'-spirobi[indene]-7-yldiphenylphosphane. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about (S)-7, 7'-Bis(diphenylphosphino)-1, 1'-spirobiindane are: (1)ACD/LogP: 11.67; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 11.671; (4)ACD/LogD (pH 7.4): 11.671; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 27.18 Å2; (13)Flash Point: 396.691 °C; (14)Enthalpy of Vaporization: 97.524 kJ/mol; (15)Boiling Point: 690.2 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc(cc1)P(c2c3c(ccc2)CC[C@@]34c5c(cccc5CC4)P(c6ccccc6)c7ccccc7)c8ccccc8
(2) InChI: InChI=1/C41H34P2/c1-5-17-33(18-6-1)42(34-19-7-2-8-20-34)37-25-13-15-31-27-29-41(39(31)37)30-28-32-16-14-26-38(40(32)41)43(35-21-9-3-10-22-35)36-23-11-4-12-24-36/h1-26H,27-30H2
(3) InChIKey: DKZNVWNOOLQCMJ-UHFFFAOYAC