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CAS No.: | 4712-55-4 |
---|---|
Name: | Diphenyl Phosphite |
Article Data: | 29 |
Molecular Structure: | |
Formula: | C12H11O3P |
Molecular Weight: | 234.191 |
Synonyms: | Diphenoxyphosphine oxide;Diphenyl hydrogenphosphite;Doverphos 213;NSC43786; |
EINECS: | 225-202-8 |
Density: | 1.223 g/mL at 25 °C(lit.) |
Melting Point: | 12 °C(lit.) |
Boiling Point: | 348.233 °C at 760 mmHg |
Flash Point: | 178.834 °C |
Appearance: | clear liquid |
Hazard Symbols: | Xn |
Risk Codes: | 22-37/38-41 |
Safety: | 26-39 |
PSA: | 59.00000 |
LogP: | 3.53410 |
Conditions | Yield |
---|---|
With trifluorormethanesulfonic acid; water at 25℃; Sealed tube; | 91% |
With phosphonic acid | |
With water |
Conditions | Yield |
---|---|
With trichlorophosphate In toluene at 70℃; for 1.8h; Temperature; | 71.3% |
With tetraethylammonium iodide; water In acetonitrile at 50℃; electrosynthesis; | 20% |
With tetraethyldiamidophosphite | |
With phosphorus trichloride | |
With trichlorophosphate In toluene at 50℃; for 1.7h; |
Conditions | Yield |
---|---|
With hypophosphorous acid In toluene for 72h; Reflux; Dean-Stark; Inert atmosphere; | A n/a B 63% |
With P4O6 In benzene for 1h; Title compound not separated from byproducts; | |
With P4O6 In benzene for 1h; |
Conditions | Yield |
---|---|
With pyridine; diethyl ether; water | |
Multi-step reaction with 2 steps 1: pyridine 2: hydrogen chloride / 0 °C View Scheme |
phosphoric acid diphenyl ester-propyl ester
diphenyl hydrogen phosphite
Conditions | Yield |
---|---|
With hydrogenchloride at 0℃; |
triphenyl phosphite
Diethyl phosphate
A
O,O-diethyl O-phenyl phosphate
B
diphenyl hydrogen phosphite
Conditions | Yield |
---|---|
In nitromethane at 30℃; |
Conditions | Yield |
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In nitromethane at 30℃; for 8h; Mechanism; Heating; other reactants, other products, other solvents, other temperatures; |
Conditions | Yield |
---|---|
With hydrogenchloride In ethanol at 25℃; Rate constant; effect of micelles (sodium lauryl sulfate, dodecylhydrogensulfuric acid, n-tetradecansulfonic acid, p-decyloxybenzenesulfonic acid, cetyltrimethylammonium chloride) and electrolytes; |
Conditions | Yield |
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With P4O6; ammonia 1.) benzene, 1 h; 2.) benzene; Multistep reaction; |
This chemical is called Phosphonic acid, diphenyl ester, and it can also be named as Diphenyl phosphonate. With the molecular formula of C12H11O3P, its molecular weight is 234.19. The CAS registry number of this chemical is 4712-55-4. Additionally, its product categories are Organic Building Blocks; Organic Phosphates/Phosphites; Phosphorus Compounds.
Other characteristics of the Phosphonic acid, diphenyl ester can be summarised as followings: (1)ACD/LogP: 0.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 28; (6)ACD/BCF (pH 7.4): 28; (7)ACD/KOC (pH 5.5): 373; (8)ACD/KOC (pH 7.4): 373; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 59 Å2; (13)Flash Point: 178.834 °C; (14)Enthalpy of Vaporization: 56.918 kJ/mol; (15)Boiling Point: 348.233 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.
Production method of this chemical: The Phosphonic acid, diphenyl ester could be obtained by the reactant of phenol. This reaction needs the reagent of (Et2N)2P(O)H.
Uses of this chemical: The phenyl H-phosphonate ammonium salt could be obtained by the reactant of Phosphonic acid, diphenyl ester. This reaction needs the reagent of pyridine, aq. NH3, and the solvent of H2O. The yield is 89 %.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to respiratory system and skin. It's harmful if swallowed. It has risk of serious damage to the eyes.Wear eye / face protection if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.InChI:InChI=1/C12H11O3P/c13-16(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10,16H
2.Smiles: P(Oc1ccccc1)(=O)Oc1ccccc1