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| CAS No.: | 3049-24-9 |
|---|---|
| Name: | diphenyl phenylphosphonate |
| Article Data: | 31 |
| Molecular Structure: | |
|
|
|
| Formula: | C18H15 O3 P |
| Molecular Weight: | 310.289 |
| Synonyms: | Phosphonicacid, phenyl-, diphenyl ester (6CI,7CI,8CI,9CI); Diphenyl benzenephosphonate;Diphenyl phenylphosphonate; NSC 25435; Triphenyl phosphonate |
| Density: | 1.24g/cm3 |
| Melting Point: | 72.0 to 76.0 °C |
| Boiling Point: | 425.2°Cat760mmHg |
| Flash Point: | 224.4°C |
| Safety: | Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic vapors of POx. |
| PSA: | 45.34000 |
| LogP: | 4.66300 |
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diphenyl phenylphosphonite
- 3049-24-9
diphenyl phenylphosphonate
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide In 1,4-dioxane; water at 8 - 12℃; for 1h; | 98.7% |
| With tetrachloromethane; benzaldehyde |
| Conditions | Yield |
|---|---|
| With tris-(dibenzylideneacetone)dipalladium(0); Phenyl triflate In neat (no solvent) at 160℃; for 16h; Catalytic behavior; Reagent/catalyst; Temperature; Inert atmosphere; | 94% |
| Multi-step reaction with 2 steps 1: tris-(dibenzylideneacetone)dipalladium(0) / diethyl ether / 50 °C / Inert atmosphere; Schlenk technique 2: tris-(dibenzylideneacetone)dipalladium(0) / N,N-dimethyl-formamide / 8 h / 160 °C / Inert atmosphere View Scheme |
| Conditions | Yield |
|---|---|
| With nickel dichloride; triethyl phosphite at 160℃; for 4h; Arbuzov reaction; | 93% |
| With sodium dodecyl-sulfate; triethylamine In water at 100℃; for 2h; | 91% |
| With triethylamine In neat (no solvent) at 100℃; for 5h; Green chemistry; | 79% |
| Conditions | Yield |
|---|---|
| With potassium carbonate In acetonitrile at 35℃; for 16h; Inert atmosphere; Schlenk technique; Irradiation; | 89% |
| Conditions | Yield |
|---|---|
| With 2,2':6,2''-terpyridine; cobalt(II) bromide; zinc In acetonitrile at 20℃; for 24h; | 84% |
| Conditions | Yield |
|---|---|
| With sodium dodecyl-sulfate; triethylamine In water at 100℃; for 3h; | 81% |
| With triethylamine In neat (no solvent) at 100℃; for 7h; Green chemistry; | 71% |
| With copper(l) iodide; sodium hydride 1.) HMPT, 70-80 deg C; 2.) 150-160 deg C, 1 h; Yield given. Multistep reaction; |
| Conditions | Yield |
|---|---|
| With tert.-butylnitrite; salicylic acid In acetonitrile at 20℃; for 2h; Schlenk technique; Inert atmosphere; | 81% |
| Stage #1: aniline With tert.-butylnitrite; toluene-4-sulfonic acid In acetonitrile at 0℃; for 0.25h; Sandmeyer Reaction; Stage #2: triphenyl phosphite In acetonitrile at 0.25℃; for 8h; Sandmeyer Reaction; | 79% |
| With tert.-butylnitrite In dimethyl sulfoxide at 70℃; for 0.666667h; Sealed tube; |
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P,P-dichlorophenylphosphine oxide
- 555-24-8
lithium phenolate
- 3049-24-9
diphenyl phenylphosphonate
| Conditions | Yield |
|---|---|
| In tetrahydrofuran at 0℃; Inert atmosphere; Reflux; | 80.2% |
| In diethyl ether at -60℃; | 24% |
- 101-02-0
triphenyl phosphite
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1-(methylsulfonyl)-2-(phenyl)diazene
- 3049-24-9
diphenyl phenylphosphonate
| Conditions | Yield |
|---|---|
| In acetonitrile at 20℃; for 24h; Inert atmosphere; Irradiation; | 77% |
- 3049-24-9
diphenyl phenylphosphonate
| Conditions | Yield |
|---|---|
| With tris-(dibenzylideneacetone)dipalladium(0) In N,N-dimethyl-formamide at 160℃; for 8h; Time; Inert atmosphere; | 53% |
- Total:7 Page 1 of 1 1
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Chemistry
Empirical Formula of Triphenyl phosphonate (CAS NO.3049-24-9): C18H15O3P
Molecular Weight: 310.2837 g/mol
EINECS: 221-261-9
Index of Refraction: 1.612
Density: 1.24 g/cm3
Flash Point: 224.4 °C
Enthalpy of Vaporization: 65.35 kJ/mol
Boiling Point: 425.2 °C at 760 mmHg
Vapour Pressure: 4.82E-07 mmHg at 25 °C
Structure of Triphenyl phosphonate (CAS NO.3049-24-9):
IUPAC Name: Diphenoxyphosphorylbenzene
Canonical SMILES: C1=CC=C(C=C1)OP(=O)(C2=CC=CC=C2)OC3=CC=CC=C3
InChI: InChI=1S/C18H15O3P/c19-22(18-14-8-3-9-15-18,20-16-10-4-1-5-11-16)21-17-12-6-2-7-13-17/h1-15H
InChIKey: CDOMXXVCZQOOMT-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | ipr-mus LD :>1250 mg/kg | CBCCT* “Summary Tables of Biological Tests“ National Research Council Chemical-Biological Coordination Center. 2 (1950),55. |
Safety Profile
Moderately toxic by intraperitoneal route. When heated to decomposition Triphenyl phosphonate (CAS NO.3049-24-9) emits toxic vapors of POx.
Specification
Triphenyl phosphonate , its cas register number is 3049-24-9. It also can be called Diphenyl phenylphosphonate
; Diphenyl phenylphosphonate ; and Phosphonic acid, phenyl-, diphenyl ester .