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| CAS No.: | 772-79-2 |
|---|---|
| Name: | 4-CHLOROPHENYL PHOSPHORODICHLORIDATE |
| Molecular Structure: | |
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|
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| Formula: | C6H4Cl3O2P |
| Molecular Weight: | 245.429 |
| Synonyms: | Phenol,p-chloro-, phosphorodichloridate (7CI);Phosphorodichloridic acid,p-chlorophenyl ester (8CI);4-Chlorophenyl dichlorophosphate;4-Chlorophenyldichlorophosphinate;4-Chlorophenyl phosphorodichloridate;p-Chlorophenyldichlorophosphate;p-Chlorophenyl phosphorodichloridate;4-CHLOROPHENYL PHOSPHORODICHLORIDATE;phosphorodichloridic acid, 4-chlorophenyl ester;4-Chlorophenyl dichlorophosphate;4-Chlorophenylphosphorodichloridate;p-chlorophenyl dichlorophosphate; |
| EINECS: | 212-254-1 |
| Density: | 1.575 g/cm3 |
| Boiling Point: | 282.3 °C at 760 mmHg |
| Flash Point: | 151.3 °C |
| Solubility: | Reacts with water. |
| Appearance: | clear colorless liquid |
| Hazard Symbols: |
 C
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| Risk Codes: | 14-34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 3265 8/PG 2 |
| PSA: | 36.11000 |
| LogP: | 4.30450 |
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Specification
The Phosphorodichloridicacid, 4-chlorophenyl ester, with the CAS registry number 772-79-2 and EINECS registry number 212-254-1, has the systematic name of 4-chlorophenyl phosphorodichloridate. It is a kind of clear colorless liquid, and belongs to the following product categories: Biochemistry; Nucleosides, Nucleotides & Related Reagents; Phosphorylating and Phosphorothioating Agents; Phosphorylation; Protecting Agents, Phosphorylating Agents & Condensing Agents; Synthetic Organic Chemistry. And the molecular formula of the chemical is C6H4Cl3O2P.
The characteristics of Phosphorodichloridicacid, 4-chlorophenyl ester are as followings: (1)ACD/LogP: 3.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.29; (4)ACD/LogD (pH 7.4): 3.29; (5)ACD/BCF (pH 5.5): 186.42; (6)ACD/BCF (pH 7.4): 186.42; (7)ACD/KOC (pH 5.5): 1468.33; (8)ACD/KOC (pH 7.4): 1468.33; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 36.11Å2; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 49.76 cm3; (15)Molar Volume: 155.7 cm3; (16)Polarizability: 19.72×10-24cm3; (17)Surface Tension: 47.5 dyne/cm; (18)Density: 1.575 g/cm3; (19)Flash Point: 151.3 °C; (20)Enthalpy of Vaporization: 50.03 kJ/mol; (21)Boiling Point: 282.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00576 mmHg at 25°C.
Uses of Phosphorodichloridicacid, 4-chlorophenyl ester: It can react with oxazolidin-2-one to produce bis-(2-oxo-oxazolidin-3-yl)-phosφnic acid 4-chloro-phenyl ester. This reaction will need reagent triethylamine, and the yield is about 75%.
You should be cautious while dealing with this chemical. It Reacts violently with water, and may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection; If in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1ccc(OP(Cl)(Cl)=O)cc1
(2)InChI: InChI=1/C6H4Cl3O2P/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4H
(3)InChIKey: CCZMQYGSXWZFKI-UHFFFAOYAR