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| CAS No.: | 770-12-7 |
|---|---|
| Name: | Phenyl dichlorophosphate |
| Article Data: | 84 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H5Cl2O2P |
| Molecular Weight: | 210.984 |
| Synonyms: | Phenylphosphorodichloridate (6CI);Dichlorophenoxyphosphineoxide;NSC 44412;Phenoxydichlorophosphine oxide;Phenoxyphosphoryl dichloride;Phosphorodichloridic acid, phenyl ester;Phenylphosphoricdichloride; |
| EINECS: | 212-220-6 |
| Density: | 1.466 g/cm3 |
| Melting Point: | -1 °C |
| Boiling Point: | 242 °C at 760 mmHg |
| Flash Point: | 99.1 °C |
| Solubility: | Decomposes |
| Appearance: | colorless transparent liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 3265 8/PG 2 |
| PSA: | 36.11000 |
| LogP: | 3.65110 |
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- 90221-55-92-bromo-5-methylbenzaldehyde
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| Conditions | Yield |
|---|---|
| With ozone In dichloromethane at 0℃; | 99% |
| Conditions | Yield |
|---|---|
| With triethylamine; trichlorophosphate In tert-butyl methyl ether at -55 - 20℃; for 4h; | 98% |
| With magnesium chloride; trichlorophosphate at 80 - 95℃; for 5h; Large scale; | 91.5% |
| With triethylamine; trichlorophosphate In diethyl ether at -78 - 20℃; Inert atmosphere; | 85% |
| Conditions | Yield |
|---|---|
| With tetrabutylammomium bromide; trichlorophosphate In toluene for 1h; | 90% |
- 19579-04-5
tetrachlorophenoxyphosphorane
- 109-92-2
ethyl vinyl ether
A
- 770-12-7
O-phenyl phosphorodichloridate
| Conditions | Yield |
|---|---|
| With sulfur dioxide In benzene at 0 - 5℃; | A 32.5% B 67.1% |
- 108-95-2
phenol
A
- 115-86-6
phosphoric acid triphenyl ester
B
- 770-12-7
O-phenyl phosphorodichloridate
C
- 2524-64-3
chlorophosphoric acid diphenyl ester
| Conditions | Yield |
|---|---|
| With magnesium chloride; trichlorophosphate In xylene at 90 - 110℃; Kinetics; Product distribution; Rate constant; | |
| With trichlorophosphate at 102 - 240℃; |
- 770-12-7
O-phenyl phosphorodichloridate
| Conditions | Yield |
|---|---|
| With phosphorus pentachloride |
- 770-12-7
O-phenyl phosphorodichloridate
| Conditions | Yield |
|---|---|
| With sulfur dioxide |
| Conditions | Yield |
|---|---|
| With triethylamine In diethyl ether at 0℃; for 0.5h; Yield given; |
| Conditions | Yield |
|---|---|
| With trichlorophosphate |
- 7719-12-2, 52843-90-0
phosphorus trichloride
- 108-95-2
phenol
A
- 770-12-7
O-phenyl phosphorodichloridate
B
- 2524-64-3
chlorophosphoric acid diphenyl ester
| Conditions | Yield |
|---|---|
| at 140℃; |
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Specification
The Phosphorodichloridic acid, phenyl ester, with its CAS registry number 770-12-7, has the IUPAC name of dichlorophosphoryloxybenzene. For being a kind of clear colourless to very slightly brown liquid, it is sensitive to moisture.
The physical properties of this chemical are as below: (1)ACD/LogP: 2.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.46; (4)ACD/LogD (pH 7.4): 2.46; (5)ACD/BCF (pH 5.5): 43.54; (6)ACD/BCF (pH 7.4): 43.54; (7)ACD/KOC (pH 5.5): 518.47; (8)ACD/KOC (pH 7.4): 518.47; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 36.11; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 44.87 cm3; (15)Molar Volume: 143.8 cm3; (16)Polarizability: 17.78×10-24 cm3; (17)Surface Tension: 45.2 dyne/cm; (18)Density: 1.466 g/cm3; (19)Flash Point: 99.1 °C; (20)Enthalpy of Vaporization: 45.96 kJ/mol; (21)Boiling Point: 242 °C at 760 mmHg; (22)Vapour Pressure: 0.0541 mmHg at 25°C; (23)Exact Mass: 209.940421; (24)MonoIsotopic Mass: 209.940421; (25)Topological Polar Surface Area: 26.3; (26)Heavy Atom Count: 11; (27)Complexity: 162.
Use of this chemical: Phosphorodichloridic acid could react with 4-methyl-aniline to produce phosphoric acid-chloride phenyl ester-p-toluidide. This reaction happens in the presence of the reagent of diethyl ether.
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Production method of this chemical: phenol could react to produce phosphorodichloridic acid. This reaction happens in the presence of POCl3, with its yield of 70.1 %.
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As to its usage, it is widely applied in many ways. It could be used as the catalytic agent in the synthesis of Emamectin benzoate; It could also be used to prepare phosphodiesterase and then it is usually applied as the coupling agent of sulfinic acid, alcohol, ammonia and triol.
When you are dealing with this chemical, you should be very careful. For being a kind of corrosive chemical, it is irritating to respiratory system and may destroy living tissue on contact. And it could causes burns. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice and if in case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)OP(=O)(Cl)Cl
(2)InChI: InChI=1S/C6H5Cl2O2P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H
(3)InChIKey: TXFOLHZMICYNRM-UHFFFAOYSA-N
Below are the toxicity information of this chemical:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mammal (species unspecified) | LD50 | oral | 850mg/kg (850mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(4), Pg. 86, 1974. |