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| CAS No.: | 54300-32-2 |
|---|---|
| Name: | BIS(4-FLUOROPHENYL)PHENYLPHOSPHINE OXIDE |
| Article Data: | 12 |
| Molecular Structure: | |
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| Formula: | C18H13F2OP |
| Molecular Weight: | 314.271 |
| Synonyms: | 4,4'-Difluorodiphenylphenylphosphine oxide;4,4'-Difluorotriphenylphosphine oxide;Bis(4-fluorophenyl)phenylphosphine oxide; |
| EINECS: | 259-079-7 |
| Density: | 1.28 g/cm3 |
| Melting Point: | 125-131 °C(lit.) |
| Boiling Point: | 454.5 °C at 760 mmHg |
| Flash Point: | 228.7 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36 |
| PSA: | 26.88000 |
| LogP: | 3.60420 |
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Specification
The Phosphineoxide, bis(4-fluorophenyl)phenyl-, with the CAS registry number 54300-32-2, is also known as Bis(4-fluorophenyl)phenylphosphine oxide. It belongs to the product categories of Catalysis and Inorganic Chemistry; Phosphine Ligands; Phosphorus Compounds. Its EINECS registry number is 259-079-7. This chemical's molecular formula is C18H13F2OP and molecular weight is 314.27. Its IUPAC name is called 1-fluoro-4-[(4-fluorophenyl)-phenylphosphoryl]benzene.
Physical properties of Phosphineoxide, bis(4-fluorophenyl)phenyl-: (1)ACD/LogP: 2.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.97; (4)ACD/LogD (pH 7.4): 2.97; (5)ACD/BCF (pH 5.5): 107.1; (6)ACD/BCF (pH 7.4): 107.1; (7)ACD/KOC (pH 5.5): 987.52; (8)ACD/KOC (pH 7.4): 987.52; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.593; (12)Molar Refractivity: 83.13 cm3; (13)Molar Volume: 245.3 cm3; (14)Surface Tension: 45.5 dyne/cm; (15)Density: 1.28 g/cm3; (16)Flash Point: 228.7 °C; (17)Enthalpy of Vaporization: 68.67 kJ/mol; (18)Boiling Point: 454.5 °C at 760 mmHg; (19)Vapour Pressure: 5.09E-08 mmHg at 25°C.
Preparation: this chemical can be prepared by Bis-p-fluorphenyl-phenylphosphin. This reaction will need reagent 30percent aq. H2O2 and solvent diethyl ether. The reaction time is 2 hours. The yield is about 43%.
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Uses of Phosphineoxide, bis(4-fluorophenyl)phenyl-: it can be used to produce di-(4-nitrophenyl)(phenyl)phosphinoxid at temperature of 150 °C. This reaction will need reagent LiNO2 and solvent hexamethylphosphoric acid triamide with reaction time of 16 hours. The yield is about 46%.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. In addition, it is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)P(=O)(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F
(2)InChI: InChI=1S/C18H13F2OP/c19-14-6-10-17(11-7-14)22(21,16-4-2-1-3-5-16)18-12-8-15(20)9-13-18/h1-13H
(3)InChIKey: AAYLOGMTTMROGA-UHFFFAOYSA-N