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1,3-Dimethoxy-5-fluorobenzene

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Name

1,3-Dimethoxy-5-fluorobenzene

EINECS N/A
CAS No. 52189-63-6 Density 1.102 g/cm3
PSA 18.46000 LogP 1.84290
Solubility Slightly miscible with water. Melting Point N/A
Formula C8H9FO2 Boiling Point 228.491 °C at 760 mmHg
Molecular Weight 156.157 Flash Point 91.111 °C
Transport Information N/A Appearance colorless to light yellow liquid
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 52189-63-6 (1,3-Dimethoxy-5-fluorobenzene) Hazard Symbols IrritantXi
Synonyms

1-Fluoro-3,5-dimethoxybenzene;3,5-Dimethoxyfluorobenzene;5-Fluoro-1,3-benzenediol, dimethyl ether;

Article Data 4

1,3-Dimethoxy-5-fluorobenzene Specification

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

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