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| CAS No.: | 16721-45-2 |
|---|---|
| Name: | Phosphorane,triphenyl(phenylmethylene)- |
| Article Data: | 70 |
| Molecular Structure: | |
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| Formula: | C25H21P |
| Molecular Weight: | 352.415 |
| Synonyms: | Phosphorane,benzylidenetriphenyl- (6CI,7CI,8CI); (Phenylmethylene)triphenylphosphorane; Benzylidenetriphenylphosphorane; Triphenylbenzylidenephosphorane; Triphenylphosphonium benzylide |
| Density: | 1.14 g/cm3 |
| Boiling Point: | 517.4 °C at 760 mmHg |
| Flash Point: | 266.7 °C |
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Specification
The Phosphorane,triphenyl(phenylmethylene)- has CAS registry number 16721-45-2. This chemical's molecular formula is C25H21P and molecular weight is 352.41. What's more, its systematic name is benzylidene(triphenyl)-λ5-phosphane.
Physical properties of Phosphorane,triphenyl(phenylmethylene)- are: (1)ACD/LogP: 5.36; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.36; (4)ACD/LogD (pH 7.4): 5.36; (5)ACD/BCF (pH 5.5): 6990.58; (6)ACD/BCF (pH 7.4): 6990.58; (7)ACD/KOC (pH 5.5): 19655.92; (8)ACD/KOC (pH 7.4): 19655.92; (9)#H bond acceptors: 0; (10)H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 9.81 Å2; (13)Index of Refraction: 1.646; (14)Molar Refractivity: 111.82 cm3; (15)Molar Volume: 307.7 cm3; (16)Polarizability: 44.32×10-24cm3; (17)Surface Tension: 49.2 dyne/cm; (18)Density: 1.14 g/cm3; (19)Flash Point: 266.7 °C; (20)Enthalpy of Vaporization: 76 kJ/mol; (21)Boiling Point: 517.4 °C at 760 mmHg; (22)Vapour Pressure: 2.68E-10 mmHg at 25°C.
Uses of Phosphorane,triphenyl(phenylmethylene)-: it can be used to produce 4-thiobenzoyl-morpholine by heating. It will need reagent solution of sulfur and solvent toluene with the reaction time of 12 hours. The yield is about 56%.
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You can still convert the following datas into molecular structure:
(1)SMILES: c4(C=P(c1ccccc1)(c2ccccc2)c3ccccc3)ccccc4
(2)Std. InChI: InChI=1S/C25H21P/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-21H
(3)Std. InChIKey: BHOMJBFLUFSZLW-UHFFFAOYSA-N