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| CAS No.: | 437-82-1 |
|---|---|
| Name: | 2,6-Difluoroanisole |
| Article Data: | 7 |
| Molecular Structure: | |
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|
|
| Formula: | C7H6F2O |
| Molecular Weight: | 144.121 |
| Synonyms: | 1,3-difluoro-2-methoxybenzene; |
| Density: | 1.176 g/cm3 |
| Boiling Point: | 156.4 °C at 760 mmHg |
| Flash Point: | 54.4 °C |
| Hazard Symbols: |
 Xi,  F
|
| Risk Codes: | 10-36/37/38 |
| Safety: | 16-26-36 |
| PSA: | 9.23000 |
| LogP: | 1.97340 |
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Specification
The 2,6-Difluoroanisole , with the CAS registry number 437-82-1, is also known as Benzene, 1,3-difluoro-2-methoxy-. It belongs to the product categories of Anisole; Anisoles, Alkyloxy Compounds & Phenylacetates; Fluorine Compounds. This chemical's molecular formula is C7H6F2O and molecular weight is 144.118746. Its IUPAC name is called 1,3-difluoro-2-methoxybenzene.
Physical properties of 2,6-Difluoroanisole: (1)ACD/LogP: 2.18; (2)ACD/LogD (pH 5.5): 2.17; (3)ACD/LogD (pH 7.4): 2.17; (4)ACD/BCF (pH 5.5): 26.47; (5)ACD/BCF (pH 7.4): 26.47; (6)ACD/KOC (pH 5.5): 363.08; (7)ACD/KOC (pH 7.4): 363.08; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.452; (11)Molar Refractivity: 32.91 cm3; (12)Molar Volume: 121.8 cm3; (13)Surface Tension: 27.1 dyne/cm; (14)Density: 1.182 g/cm3; (15)Flash Point: 54.4 °C; (16)Enthalpy of Vaporization: 37.69 kJ/mol; (17)Boiling Point: 156.4 °C at 760 mmHg; (18)Vapour Pressure: 3.73 mmHg at 25°C.
Preparation: this chemical can be prepared by diazomethane and 2,6-difluoro-phenol. This reaction will need solvent diethyl ether. The reaction temperature is 0 - 20 °C. The yield is about 95%.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It may catch fire in contact with air and only need brief contact with an ignition source which has a very low flash point or evolve highly flammable gases in contact with water. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=C(C=CC=C1F)F
(2)InChI: InChI=1S/C7H6F2O/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,1H3
(3)InChIKey: IOBWAHRFIPQEQL-UHFFFAOYSA-N