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| CAS No.: | 23582-02-7 |
|---|---|
| Name: | BIS(2-DIPHENYLPHOSPHINOETHYL)PHENYLPHOSPHINE |
| Article Data: | 10 |
| Molecular Structure: | |
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|
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| Formula: | C34H33P3 |
| Molecular Weight: | 534.557 |
| Synonyms: | Bis(2-diphenylphosphinoethyl)phenylphosphine 97%; |
| EINECS: | 245-753-8 |
| Melting Point: | 121-126 °C |
| Boiling Point: | 645.4 °C at 760 mmHg |
| Flash Point: | 367.3 °C |
| Solubility: | insoluble in water |
| Appearance: | white to light yellow crystal powde |
| Hazard Symbols: |
 Xi Xn
|
| Risk Codes: | 36/37/38 |
| Safety: | 37/39-26-36/37/39-28-22 |
| Transport Information: | UN 2811 |
| PSA: | 40.77000 |
| LogP: | 7.05960 |
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Specification
The Triphos, with the CAS registry number of 23582-02-7, is also known as Bis(2-diphenylphosphinoethyl)phenylphosphine 97%. It belongs to the product category of Ligand. Its EINECS registry number is 245-753-8. This chemical's molecular formula is C34H33P3 and molecular weight is 534.55. What's more, its IUPAC name is Bis(2-diphenylphosphanylethyl)-phenylphosphane. In addition, it must be stored in airtight containers and placed in a dry, cool place.
Physical properties about the Triphos are: (1)ACD/LogP: 10.78; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 10.78; (4)ACD/LogD (pH 7.4): 10.78; (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: 11; (12)Polar Surface Area: 40.77 Å2; (13)Flash Point: 367.3 °C; (14)Enthalpy of Vaporization: 91.74 kJ/mol; (15)Boiling Point: 645.4 °C at 760 mmHg; (16)Vapour Pressure: 7.77E-16 mmHg at 25 °C.
Uses: it is used to produce other chemicals. For example, it is used to produce N-Cyano-bis[2-(N-cyanodiphenylphospha-λ5-azeno)ethyl]phenylphospha-λ5-azene. This reaction needs reagent Diethyl azodicarboxylate. Meanwhile, it needs solvent Tetrahydrofuran. The reaction time is 4 h. The yield is about 84 %.
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When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. It is harmful by inhalation, in contact with skin and if swallowed. In addition, if contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. Besides, during using it, wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1) SMILES: P(c1ccccc1)(CCP(c2ccccc2)c3ccccc3)CCP(c4ccccc4)c5ccccc5
(2) InChI: InChI=1/C34H33P3/c1-6-16-30(17-7-1)35(26-28-36(31-18-8-2-9-19-31)32-20-10-3-11-21-32)27-29-37(33-22-12-4-13-23-33)34-24-14-5-15-25-34/h1-25H,26-29H2
(3) InChIKey: AXVOAMVQOCBPQT-UHFFFAOYAR