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| CAS No.: | 598-02-7 |
|---|---|
| Name: | DIETHYL PHOSPHATE |
| Article Data: | 208 |
| Molecular Structure: | |
|
|
|
| Formula: | C4H11 O4 P |
| Molecular Weight: | 154.103 |
| Synonyms: | Ethylphosphate ((C2H5O)2(HO)PO) (6CI); DEP; Diethyl acid phosphate; Diethyl hydrogenphosphate; Diethyl phosphate; Diethyl phosphoric acid; NSC 97178; O,O-Diethylhydrogen phosphate |
| Density: | 1.195g/cm3 |
| Melting Point: | 6 °C |
| Boiling Point: | 203 °C |
| Flash Point: | 74.9°C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | R36/37/38 |
| Safety: | A poison by ingestion. When heated to decomposition it emits toxic vapors of POx. |
| PSA: | 65.57000 |
| LogP: | 1.15980 |
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diethyl pyren-1-ylmethyl phosphate
- 598-02-7
Diethyl phosphate
| Conditions | Yield |
|---|---|
| In methanol; benzene for 2h; Product distribution; Quantum yield; Irradiation; other phosphates; var. solvents; | 100% |
| Conditions | Yield |
|---|---|
| In tetrahydrofuran at 0 - 25℃; for 3h; | A n/a B 98% |
| Conditions | Yield |
|---|---|
| With sodium hydroxide In tetrahydrofuran for 0.5h; | 95% |
| With sodium hydroxide In tetrahydrofuran; water at 0℃; | 92% |
| With sodium hydroxide at 30 - 40℃; | 90% |
- 1108208-57-6
tetrachlorobis[4-(dimethylamino)pyridine]phosphorus(V) chloride
- 64-17-5
ethanol
- 598-02-7
Diethyl phosphate
| Conditions | Yield |
|---|---|
| at 60℃; for 4.5h; | 95% |
- 1108208-58-7
cis-tetrachlorobis(1-methylimidazole)phosphorus(V) chloride
- 64-17-5
ethanol
- 598-02-7
Diethyl phosphate
| Conditions | Yield |
|---|---|
| at 60℃; for 4.5h; | 95% |
- 133323-03-2
Diethyl 2-(methylsulfonylamino)phenyl phosphate
A
- 598-02-7
Diethyl phosphate
B
- 19299-40-2
N-cyclohexylmethanesulfonamide
| Conditions | Yield |
|---|---|
| With hydrogen; acetic acid; trifluoroacetic acid; platinum(IV) oxide at 20℃; under 750.06 Torr; for 20h; | A 93% B 73% |
| Conditions | Yield |
|---|---|
| With trifluorormethanesulfonic acid In benzene at 80℃; for 4h; Inert atmosphere; | 93% |
| With trifluorormethanesulfonic acid In toluene at 120℃; for 24h; Sealed tube; Schlenk technique; Inert atmosphere; | 93% |
- 30094-32-7
(diethoxy phosphoryl) fluoroacetic acid
- 100-52-7
benzaldehyde
A
- 598-02-7
Diethyl phosphate
B
- 20397-61-9
(Z)-2-fluoro-3-phenylacrylic acid
| Conditions | Yield |
|---|---|
| With n-butyllithium In tetrahydrofuran; hexane 1.) -78 deg C, 1 h; 2.) 15 h room temperature; | A n/a B 91% |
- 30094-32-7
(diethoxy phosphoryl) fluoroacetic acid
- 123-11-5
4-methoxy-benzaldehyde
A
- 598-02-7
Diethyl phosphate
B
- 26928-12-1
(Z)-2-fluoro-3-(4-methoxyphenyl)-2-propenoic acid
| Conditions | Yield |
|---|---|
| With n-butyllithium In tetrahydrofuran; hexane 1.) -78 deg C, 1 h; 2.) 15 h room temperature; | A n/a B 90% |
| Conditions | Yield |
|---|---|
| With iodosylbenzene In tetrahydrofuran for 48h; Heating; | A 90% B 5% |
| With iodosylbenzene In benzene for 0.5h; Product distribution; Further Variations:; Solvents; Heating; | A 11% B 77% |
| With iodosylbenzene In benzene for 0.5h; Heating; | A 11% B 77% |
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Chemistry
Product Name: Diethyl phosphoric acid (CAS NO.598-02-7)
Molecular Formula: C4H11O4P
Molecular Weight: 154.1g/mol
Mol File: 598-02-7.mol
Einecs: 209-912-5
Appearance: Clear colorless to light yellow-orange liquid
Melting Point: 6 °C
Boiling point: 200.3 °C at 760 mmHg
Flash Point: 74.9 °C
Density: 1.195 g/cm3
Surface Tension: 37.6 dyne/cm
Enthalpy of Vaporization: 48.11 kJ/mol
Vapour Pressure: 0.137 mmHg at 25°C
XLogP3-AA: -0.3
H-Bond Donor: 1
H-Bond Acceptor: 4
Structure Descriptors of Diethyl phosphoric acid (CAS NO.598-02-7):
IUPAC Name: diethyl hydrogen phosphate
Canonical SMILES: CCOP(=O)(O)OCC
InChI: InChI=1S/C4H11O4P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3,(H,5,6)
InChIKey: UCQFCFPECQILOL-UHFFFAOYSA-N
Product Categories: Alphabetic; D; DID - DINEnvironmental Standards; Metabolites; Pesticides&Metabolites
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LDLo | oral | > 250mg/kg (250mg/kg) | National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 37, 1953. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
A poison by ingestion. When heated to decomposition it emits toxic vapors of POx.
Safety Information of Diethyl phosphoric acid (CAS NO.598-02-7):
Hazard Codes: Xi
Risk Statements: 36/37/38
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements: 37/39-26-36
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection
Specification
Diethyl phosphoric acid ,its CAS NO. is 598-02-7,the synonyms is Diethyl acid phosphate ; Diethyl hydrogen phosphate ; Diethyl phosphate ; EINECS 209-912-5 ; Ethyl phosphate, (ETO)2(HO)PO ; Ethyl phosphate, di- ; NSC 97178 ; O,O-Diethyl hydrogen phosphate ; Phosphoric acid, diethyl ester .