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CAS No.: | 52189-63-6 |
---|---|
Name: | 1,3-Dimethoxy-5-fluorobenzene |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C8H9FO2 |
Molecular Weight: | 156.157 |
Synonyms: | 1-Fluoro-3,5-dimethoxybenzene;3,5-Dimethoxyfluorobenzene;5-Fluoro-1,3-benzenediol, dimethyl ether; |
Density: | 1.102 g/cm3 |
Boiling Point: | 228.491 °C at 760 mmHg |
Flash Point: | 91.111 °C |
Solubility: | Slightly miscible with water. |
Appearance: | colorless to light yellow liquid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 18.46000 |
LogP: | 1.84290 |
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The Benzene,1-fluoro-3,5-dimethoxy-, with the CAS registry number 52189-63-6, is also known as 1,3-Dimethoxy-5-fluorobenzene. It belongs to the product categories of Aromatic Halides (substituted); Anisoles, Alkyloxy Compounds & Phenylacetates; Fluorine Compounds; Ethers; Organic Building Blocks; Oxygen Compounds. This chemical's molecular formula is C8H9FO2 and formula weight is 156.15. What's more, its IUPAC name is 1-Fluoro-3,5-dimethoxybenzene.
Physical properties of Benzene,1-fluoro-3,5-dimethoxy- are: (1)ACD/LogP: 2.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.08; (4)ACD/BCF (pH 5.5): 22.47; (5)ACD/KOC (pH 5.5): 322.9; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 18.46 Å2; (10)Index of Refraction: 1.471; (11)Molar Refractivity: 39.6 cm3; (12)Molar Volume: 141.6 cm3; (13)Surface Tension: 28.6 dyne/cm; (14)Density: 1.102 g/cm3; (15)Flash Point: 91.1 °C; (16)Enthalpy of Vaporization: 44.62 kJ/mol; (17)Boiling Point: 228.5 °C at 760 mmHg; (18)Vapour Pressure: 0.11 mmHg at 25°C.
Uses of Benzene,1-fluoro-3,5-dimethoxy-: it can be used to produce 5-fluoro-benzene-1,3-diol at the temperature of -78 - 0°C. It will need reagent n-Bu4NI, BCl3 and solvent CH2Cl2. It is a reaction of dealkylation. The yield is about 77%.
When you are using this chemical, please be cautious about it as the following:
It is Irritating to eyes, respiratory system and skin. In case of contact with eyes, you need rinse immediately with plenty of water and seek medical advice. When using it, you should wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(OC)cc(OC)c1
(2)InChI: InChI=1S/C8H9FO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,1-2H3
(3)InChIKey: IWFKMNAEFPEIOY-UHFFFAOYSA-N