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791616-55-2

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Basic Information
CAS No.: 791616-55-2
Name: (R)-(-)-3,3'-BIS(TRIPHENYLSILYL)-1,1'-BINAPHTHYL-2,2'-DIYL HYDROGENPHOSPHATE, 95%
Molecular Structure:
Molecular Structure of 791616-55-2 ((R)-(-)-3,3'-BIS(TRIPHENYLSILYL)-1,1'-BINAPHTHYL-2,2'-DIYL HYDROGENPHOSPHATE, 95%)
Formula: C56H41O4PSi2
Molecular Weight: 865.07
Synonyms: 2,6-Bis(triphenylsilyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-ol 4-oxide;
Density: 1.328 g/cm3
Melting Point: 329-335 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37
PSA: 65.57000
LogP: 8.28640
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Specification

The CAS registry number of Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin,4-hydroxy-2,6-bis(triphenylsilyl)-, 4-oxide, (11bR)- is 791616-55-2. The systematic name is 2,6-bis(triphenylsilyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-ol 4-oxide. In addition, the molecular formula is C56H41O4PSi2 and the molecular weight is 865.07. What's more, it should be stored in a cool and dry place.

Physical properties about Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin,4-hydroxy-2,6-bis(triphenylsilyl)-, 4-oxide, (11bR)- are: (1)ACD/LogP: 13.61; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 12; (4)ACD/LogD (pH 7.4): 12; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 3892688; (8)ACD/KOC (pH 7.4): 3402180; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 65.57 Å2; (13)Index of Refraction: 1.738; (14)Molar Refractivity: 262.055 cm3; (15)Molar Volume: 651.358 cm3; (16)Polarizability: 103.887 ×10-24cm3; (17)Surface Tension: 64.069 dyne/cm; (18)Density: 1.328 g/cm3.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and gloves. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=P3(O)Oc2c(cc1ccccc1c2c4c8c(cc(c4O3)[Si](c5ccccc5)(c6ccccc6)c7ccccc7)cccc8)[Si](c9ccccc9)(c%10ccccc%10)c%11ccccc%11
(2)InChI: InChI=1/C56H41O4PSi2/c57-61(58)59-55-51(62(43-25-7-1-8-26-43,44-27-9-2-10-28-44)45-29-11-3-12-30-45)39-41-23-19-21-37-49(41)53(55)54-50-38-22-20-24-42(50)40-52(56(54)60-61)63(46-31-13-4-14-32-46,47-33-15-5-16-34-47)48-35-17-6-18-36-48/h1-40H,(H,57,58)
(3)InChIKey: BDQOCXQVIFQJRK-UHFFFAOYAS