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| CAS No.: | 983-80-2 |
|---|---|
| Name: | CIS-1,2-BIS(DIPHENYLPHOSPHINO)ETHYLENE |
| Molecular Structure: | |
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|
|
| Formula: | C26H22P2 |
| Molecular Weight: | 396.408 |
| Synonyms: | Phosphine,(1Z)-1,2-ethenediylbis[diphenyl- (9CI);Phosphine, 1,2-ethenediylbis[diphenyl-,(Z)-;Phosphine, vinylenebis[diphenyl-, (Z)- (8CI);(Z)-1,2-Bis(diphenylphosphino)ethene;(Z)-1,2-Bis(diphenylphosphino)ethylene;cis-1,2-Bis(diphenylphosphine)ethene;cis-1,2-Bis(diphenylphosphine)ethylene;cis-1,2-Bis(diphenylphosphino)ethene;cis-1,2-Bis(diphenylphosphino)ethylene;cis-Bis(diphenylphosphino)ethylene;cis-Vinylenebis[diphenylphosphine]; |
| EINECS: | 213-569-7 |
| Melting Point: | 122-124 °C(lit.) |
| Boiling Point: | 546.8 °C at 760 mmHg |
| Flash Point: | 302.7 °C |
| Solubility: | Insoluble in water |
| Appearance: | white to light yellow crystal powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 27.18000 |
| LogP: | 5.72340 |
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Specification
The cis-1,2-Bis(diphenylphosphine)ethene, with the CAS registry number 983-80-2 and EINECS registry number 213-569-7, has the systematic name of (Z)-ethene-1,2-diylbis(diphenylphosphane). It is a kind of air sensitive chemical, and belongs to the following product categories: Ligand; Catalysis and Inorganic Chemistry; Phosphorus Compounds; Polydentate Phosphine Ligands. And the molecular formula of the chemical is C26H22P2.
The characteristics of cis-1,2-Bis(diphenylphosphine)ethene are as followings: (1)ACD/LogP: 9.28; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.28; (4)ACD/LogD (pH 7.4): 9.28; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 2649651; (8)ACD/KOC (pH 7.4): 2649651; (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: 302.7 °C; (14)Enthalpy of Vaporization: 79.51 kJ/mol; (15)Boiling Point: 546.8 °C at 760 mmHg; (16)Vapour Pressure: 1.87E-11 mmHg at 25°C.
Preparation of cis-1,2-Bis(diphenylphosphine)ethene: This chemical can be prepared by diphenylphosphane and 1,1-dichloro-ethene. The reaction will need reagent aq. KOH and tetrabutylammonium bromide, and the menstruumdimethylsulfoxide. The reaction time is 2 hours with heating, and the yield is about 91.89%.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable 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: C(=C\P(c1ccccc1)c2ccccc2)\P(c3ccccc3)c4ccccc4
(2)InChI: InChI=1/C26H22P2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H/b22-21-
(3)InChIKey: NCKJIJSEWKIXAT-DQRAZIAOBI