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| CAS No.: | 621-88-5 |
|---|---|
| Name: | PHENOXYACETAMIDE |
| Molecular Structure: | |
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|
|
| Formula: | C8H9NO2 |
| Molecular Weight: | 151.165 |
| Synonyms: | 2-Phenoxyacetamide;NSC 1865;Phenoxyacetamide; |
| EINECS: | 210-713-0 |
| Density: | 1.156 g/cm3 |
| Melting Point: | 101-103 °C(lit.) |
| Boiling Point: | 339 °C at 760 mmHg |
| Flash Point: | 200.9 °C |
| Appearance: | white crystalline powder |
| Hazard Symbols: |
 Xi, Xn
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36 |
| PSA: | 52.32000 |
| LogP: | 1.25100 |
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Specification
This chemical is called Acetamide, 2-phenoxy-, and its CAS registry number is 621-88-5. With the molecular formula of C8H9NO2, its molecular weight is 151.16. Additionally, its product categories are Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. In addition, this chemical should be sealed in the cool and dry place, away from oxides or reducing regent.
Other characteristics of the Acetamide, 2-phenoxy- can be summarised as followings: (1)ACD/LogP: 0.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.76; (4)ACD/LogD (pH 7.4): 0.76; (5)ACD/BCF (pH 5.5): 2.22; (6)ACD/BCF (pH 7.4): 2.22; (7)ACD/KOC (pH 5.5): 61.65; (8)ACD/KOC (pH 7.4): 61.65; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.541; (14)Molar Refractivity: 41.12 cm3; (15)Molar Volume: 130.7 cm3; (16)Polarizability: 16.3×10-24cm3; (17)Surface Tension: 44.5 dyne/cm; (18)Density: 1.156 g/cm3; (19)Flash Point: 200.9 °C; (20)Enthalpy of Vaporization: 58.25 kJ/mol; (21)Boiling Point: 339 °C at 760 mmHg; (22)Vapour Pressure: 9.43E-05 mmHg at 25°C.
Production method of this chemical: The Acetamide, 2-phenoxy- could be obtained by the reactant of phenoxy-acetic acid ethyl ester. This reaction needs the reagent of concentrated aqueous ammonia.
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Uses of this chemical: The Acetamide, 2-phenoxy- could react with ethanol, and obtain the phenoxy-acetic acid ethyl ester. This reaction needs the reagent of dimethylformamide dimethylacetal. The yield is 85 %. In addition, this reaction should be taken for 3 hours at the temperature of 45 °C.
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When you are using this chemical, please be cautious about it as the following: This chemical is irritating / harmful to eyes, respiratory system and skin. You should wear suitable protective clothing 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.SMILES: O=C(N)COc1ccccc1
2.InChI: InChI=1/C8H9NO2/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)
3.InChIKey: AOPRXJXHLWYPQR-UHFFFAOYAI