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CAS No.: | 459-26-7 |
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Name: | 4-Fluorophenetole |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C8H9FO |
Molecular Weight: | 140.157 |
Synonyms: | Phenetole,p-fluoro- (6CI,7CI,8CI);1-Ethoxy-4-fluorobenzene;4-Ethoxyfluorobenzene;Ethyl 4-fluorophenyl ether;p-Ethoxyfluorobenzene;p-Fluorophenetole; |
EINECS: | 207-287-3 |
Density: | 1.045 g/cm3 |
Melting Point: | -8.5 °C |
Boiling Point: | 179.5 °C at 760 mmHg |
Flash Point: | 62.3 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36-36/37/39-27 |
PSA: | 9.23000 |
LogP: | 2.22440 |
The Benzene,1-ethoxy-4-fluoro-, with the CAS registry number 459-26-7, is also known as 4-Fluorophenetole. It belongs to the product categories of Phenetole; Anisoles, Alkyloxy Compounds & Phenylacetates; Fluorine Compounds. Its EINECS number is 207-287-3. This chemical's molecular formula is C8H9FO and formula weight is 140.15. What's more, its IUPAC name is 1-ethoxy-4-fluorobenzene.
Physical properties of Benzene,1-ethoxy-4-fluoro- are: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.79; (4)ACD/BCF (pH 5.5): 77.88; (5)ACD/KOC (pH 5.5): 786.13; (6)#H bond acceptors: 1; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 9.23 Å2; (10)Index of Refraction: 1.471; (11)Molar Refractivity: 37.55 cm3; (12)Molar Volume: 134.1 cm3; (13)Surface Tension: 28.8 dyne/cm; (14)Density: 1.044 g/cm3; (15)Flash Point: 62.3 °C; (16)Enthalpy of Vaporization: 39.88 kJ/mol; (17)Boiling Point: 179.5 °C at 760 mmHg; (18)Vapour Pressure: 1.27 mmHg at 25°C.
Preparation: this chemical can be prepared by ethoxybenzene at the ambient temperature. This reaction will need reagent cesium fluoroxysulfate, BF3 and solvent acetonitrile with the reaction time of 30 min. The yield is about 41%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When using it, you should wear suitable protective clothing, gloves and eye/face protection. You need take off immediately all contaminated clothing. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(OCC)cc1
(2)InChI: InChI=1S/C8H9FO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3
(3)InChIKey: PURLWQWDGIIYBG-UHFFFAOYSA-N