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Cas Database

Name	Triphenyl phosphonate	EINECS	N/A
CAS No.	3049-24-9	Density	1.24g/cm³
PSA	45.34000	LogP	4.66300
Solubility	N/A	Melting Point	72.0 to 76.0 °C
Formula	C18H15 O3 P	Boiling Point	425.2°Cat760mmHg
Molecular Weight	310.289	Flash Point	224.4°C
Transport Information	N/A	Appearance	N/A
Safety	Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic vapors of PO_x.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Phosphonicacid, phenyl-, diphenyl ester (6CI,7CI,8CI,9CI); Diphenyl benzenephosphonate;Diphenyl phenylphosphonate; NSC 25435; Triphenyl phosphonate	Article Data	31

Triphenyl phosphonate Synthetic route

: 13410-61-2
diphenyl phenylphosphonite

: 3049-24-9
diphenyl phenylphosphonate

Conditions

Conditions	Yield
With dihydrogen peroxide In 1,4-dioxane; water at 8 - 12℃; for 1h;	98.7%
With tetrachloromethane; benzaldehyde

: 101-02-0
triphenyl phosphite

: 3049-24-9
diphenyl phenylphosphonate

Conditions

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

: 101-02-0
triphenyl phosphite

: 591-50-4
iodobenzene

: 3049-24-9
diphenyl phenylphosphonate

Conditions

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%

: 101-02-0
triphenyl phosphite

: 66003-76-7
Diphenyliodonium triflate

: 3049-24-9
diphenyl phenylphosphonate

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 35℃; for 16h; Inert atmosphere; Schlenk technique; Irradiation;	89%

: 4712-55-4
diphenyl hydrogen phosphite

: 98-80-6
phenylboronic acid

: 3049-24-9
diphenyl phenylphosphonate

Conditions

Conditions	Yield
With 2,2':6,2''-terpyridine; cobalt(II) bromide; zinc In acetonitrile at 20℃; for 24h;	84%

: 591-50-4
iodobenzene

: 4712-55-4
diphenyl hydrogen phosphite

: 3049-24-9
diphenyl phenylphosphonate

Conditions

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;

: 101-02-0
triphenyl phosphite

: 62-53-3
aniline

: 3049-24-9
diphenyl phenylphosphonate

Conditions

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;

: 824-72-6
P,P-dichlorophenylphosphine oxide

: 555-24-8
lithium phenolate

: 3049-24-9
diphenyl phenylphosphonate

Conditions

Conditions	Yield
In tetrahydrofuran at 0℃; Inert atmosphere; Reflux;	80.2%
In diethyl ether at -60℃;	24%

: 101-02-0
triphenyl phosphite

: 23265-32-9
1-(methylsulfonyl)-2-(phenyl)diazene

: 3049-24-9
diphenyl phenylphosphonate

Conditions

Conditions	Yield
In acetonitrile at 20℃; for 24h; Inert atmosphere; Irradiation;	77%

: C24H20O3P(1+)*I(1-)

: 3049-24-9
diphenyl phenylphosphonate

Conditions

Conditions	Yield
With tris-(dibenzylideneacetone)dipalladium(0) In N,N-dimethyl-formamide at 160℃; for 8h; Time; Inert atmosphere;	53%

Triphenyl phosphonate Chemical Properties

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

Triphenyl phosphonate Toxicity Data With Reference

ipr-mus LD :>1250 mg/kg

CBCCT* “Summary Tables of Biological Tests“ National Research Council Chemical-Biological Coordination Center. 2 (1950),55.

Triphenyl phosphonate Safety Profile

Moderately toxic by intraperitoneal route. When heated to decomposition Triphenyl phosphonate (CAS NO.3049-24-9) emits toxic vapors of PO_x.

Triphenyl phosphonate 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 .

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