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| CAS No.: | 166330-10-5 |
|---|---|
| Name: | (OXYDI-2,1-PHENYLENE)BIS(DIPHENYLPHOSPHINE) |
| Molecular Structure: | |
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| Formula: | C36H28OP2 |
| Molecular Weight: | 538.565 |
| Synonyms: | Phosphine,(oxydi-2,1-phenylene)bis[diphenyl- (9CI);(Oxydi-2,1-phenylene)bis[diphenylphosphine];1,1'-Oxybis[2,1-phenylenebis(diphenylphosphine)];[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenyl-phosphane;(Oxydi-2,1-phenylene)bis(diphenylphosphine);phosphine, 1,1'-(oxydi-2,1-phenylene)bis[1,1-diphenyl-;DPEphos;Bis[2-(diphenylphosphino)phenyl] Ether; |
| EINECS: | 678-206-0 |
| Melting Point: | 184-187 °C(lit.) |
| Boiling Point: | 608.19 °C at 760 mmHg |
| Flash Point: | 404.905 °C |
| Appearance: | White to off-white crystalline powder or crystals |
| Hazard Symbols: |
 Xn
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| Risk Codes: | 36/37/38-22 |
| Safety: | 37/39-26 |
| PSA: | 36.41000 |
| LogP: | 6.99530 |
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Specification
The Bis(2-diphenylphosphinophenyl) ether, with the CAS registry number 166330-10-5, has the systematic name of [2-(2-diphenylphosphanylphenoxy)phenyl]-diphenyl-phosphane. It belongs to the following product categories: Phosphine Ligands; Synthetic Organic Chemistry; Catalysis and Inorganic Chemistry; Phosphorus Compounds; Polydentate Phosphine Ligands. And the molecular formula of the chemical is C36H28OP2.
The characteristics of Bis(2-diphenylphosphinophenyl) ether are as followings: (1)ACD/LogP: 11.16; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 11.163; (4)ACD/LogD (pH 7.4): 11.163; (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: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 36.41 Å2; (13)Flash Point: 404.905 °C; (14)Enthalpy of Vaporization: 87.047 kJ/mol; (15)Boiling Point: 608.19 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.
Preparation of Bis(2-diphenylphosphinophenyl) ether: This chemical can be prepared by diphenylphosphinous acid chloride and diphenyl ether. The reaction will need reagent BuLi, and the yield is about 58%.
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You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it also harmful if swallowed. Therefore, you had better take the following instructions: Wear suitable protective gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1ccc(cc1)P(c2ccccc2)c3ccccc3Oc4ccccc4P(c5ccccc5)c6ccccc6
(2)InChI: InChI=1/C36H28OP2/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-28H
(3)InChIKey: RYXZOQOZERSHHQ-UHFFFAOYAQ
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