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| CAS No.: | 451-80-9 |
|---|---|
| Name: | 2-FLUOROPHENETOLE |
| Article Data: | 7 |
| Molecular Structure: | |
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|
|
| Formula: | C8H9FO |
| Molecular Weight: | 140.157 |
| Synonyms: | Phenetole,o-fluoro- (8CI);2-Ethoxyfluorobenzene;2-Fluoro-1-ethoxybenzene;2-Fluorophenetole;NSC 89718;o-Fluorophenetole; |
| Density: | 1.044 g/cm3 |
| Melting Point: | -16.7 |
| Boiling Point: | 174.6 °C at 760 mmHg |
| Flash Point: | 60.1 °C |
| Hazard Symbols: |
 Xi, C
|
| Risk Codes: | 36/37/38-34 |
| Safety: | 26-36-45-36/37/39-27 |
| PSA: | 9.23000 |
| LogP: | 2.22440 |
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Specification
This chemical is called Benzene, 1-ethoxy-2-fluoro-, and its systematic name is 1-ethoxy-2-fluorobenzene. With the CAS registry number of 451-80-9, its product categories are Phenetole; Anisoles, Alkyloxy Compounds & Phenylacetates; Fluorine Compounds. Additionally, this chemical should be sealed in the cool and dry place.
Other characteristics of the Benzene, 1-ethoxy-2-fluoro- can be summarised as followings: (1)ACD/LogP: 2.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.67; (4)ACD/LogD (pH 7.4): 2.67; (5)ACD/BCF (pH 5.5): 62.62; (6)ACD/BCF (pH 7.4): 62.62; (7)ACD/KOC (pH 5.5): 672.5; (8)ACD/KOC (pH 7.4): 672.5; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.471; (14)Molar Refractivity: 37.55 cm3; (15)Molar Volume: 134.1 cm3; (16)Polarizability: 14.88×10-24cm3; (17)Surface Tension: 28.8 dyne/cm; (18)Density: 1.044 g/cm3; (19)Flash Point: 60.1 °C; (20)Enthalpy of Vaporization: 39.41 kJ/mol; (21)Boiling Point: 174.6 °C at 760 mmHg; (22)Vapour Pressure: 1.6 mmHg at 25°C.
Production method of this chemical: The Benzene, 1-ethoxy-2-fluoro- could be obtained by the reactants of ethoxybenzene and 4-fluoro-phenetole. This reaction needs the reagent of CH3COOF, and the solvent of CH2Cl2, CCl3F. The yield is 46 %. In addition, this reaction should be taken at the temperature of -75 °C.
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When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. It causes burns. 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: Fc1ccccc1OCC
2.InChI: InChI=1/C8H9FO/c1-2-10-8-6-4-3-5-7(8)9/h3-6H,2H2,1H3
3.InChIKey: SQSJADMOVKSAQY-UHFFFAOYAC