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| CAS No.: | 82830-49-7 |
|---|---|
| Name: | 1,4-Dimethoxy-2-fluorobenzene |
| Article Data: | 4 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C8H9FO2 |
| Molecular Weight: | 156.157 |
| Synonyms: | 2,5-Dimethoxyfluorobenzene;2-Fluoro-1,4-dimethoxybenzene;Benzene, 2-fluoro-1,4-dimethoxy-; |
| EINECS: | 212-586-7 |
| Density: | 1.102 g/cm3 |
| Melting Point: | 23-26 °C |
| Boiling Point: | 198 °C at 760 mmHg |
| Flash Point: | 80 °C |
| Solubility: | Insoluble in water. |
| Appearance: | white crystalline low melting solid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 24/25 |
| Transport Information: | N/A |
| PSA: | 18.46000 |
| LogP: | 1.84290 |
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The Benzene,2-fluoro-1,4-dimethoxy-, with the CAS registry number 82830-49-7, has the systematic name and IUPAC name of 2-fluoro-1,4-dimethoxybenzene. It is a kind of white crystalline low melting solid, and belongs to the following product categories: Anisoles, Alkyloxy Compounds & Phenylacetates;Fluorine Compounds. And the molecular formula of the chemical is C8H9FO2.
The characteristics of Benzene,2-fluoro-1,4-dimethoxy- are as followings: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.15; (4)ACD/LogD (pH 7.4): 2.15; (5)ACD/BCF (pH 5.5): 25.38; (6)ACD/BCF (pH 7.4): 25.38; (7)ACD/KOC (pH 5.5): 352.37; (8)ACD/KOC (pH 7.4): 352.37; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.471; (14)Molar Refractivity: 39.6 cm3; (15)Molar Volume: 141.6 cm3; (16)Polarizability: 15.7×10-24cm3; (17)Surface Tension: 28.6 dyne/cm; (18)Density: 1.102 g/cm3; (19)Flash Point: 80 °C; (20)Enthalpy of Vaporization: 41.64 kJ/mol; (21)Boiling Point: 198 °C at 760 mmHg; (22)Vapour Pressure: 0.519 mmHg at 25°C.
Preparation of Benzene,2-fluoro-1,4-dimethoxy-: This chemical can be prepared by sulfuric acid dimethyl ester and fluoro-[1,4]benzoquinone. The reaction will need reagent NaOH, and the menstruum ethanol and H2O. The reaction time is 0.5 hours with temperature of 65-70°C, and the yield is about 44%.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take avoid contact with skin and eyes.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1cc(OC)ccc1OC
(2)InChI: InChI=1/C8H9FO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,1-2H3
(3)InChIKey: WNCYZVMZKSOPMU-UHFFFAOYAA
