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3-Fluorostyrene

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Name

3-Fluorostyrene

EINECS 206-504-9
CAS No. 350-51-6 Density 1.021 g/cm3
PSA 0.00000 LogP 2.46870
Solubility Insoluble in water Melting Point N/A
Formula C8H7F Boiling Point 161.416 °C at 760 mmHg
Molecular Weight 122.142 Flash Point 31.315 °C
Transport Information UN 1993 3/PG 3 Appearance clear colorless liquid
Safety 16-26-33-37/39 Risk Codes 10-36-36/37/38
Molecular Structure Molecular Structure of 350-51-6 (3-Fluorostyrene) Hazard Symbols IrritantXi,FlammableF
Synonyms

1-Ethenyl-3-fluoro-benzene;

Article Data 17

3-Fluorostyrene Specification

The 3-Fluorostyrene, with the CAS registry number of 350-51-6, is also known as 1-Fluoro-3-vinylbenzene and m-Fluorostyrene. It belongs to the product categories of Styrenes; Monomer; Monomers; Polymer Science; Styrene and Functionalized Styrene Monomers. Its EINECS registry number is 206-504-9. This chemical's molecular formula is C8H7F and molecular weight is 122.14. What's more, its IUPAC name is 1-Ethenyl-3-fluorobenzene. Besides, it should be stored at 0-6 °C.

Physical properties about 3-Fluorostyrene are: (1)ACD/LogP: 2.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.82; (4)ACD/LogD (pH 7.4): 2.82; (5)ACD/BCF (pH 5.5): 82.4; (6)ACD/BCF (pH 7.4): 82.4; (7)ACD/KOC (pH 5.5): 818.55; (8)ACD/KOC (pH 7.4): 818.55; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 37.17 cm3; (15)Molar Volume: 119.5 cm3; (16)Polarizability: 14.73×10-24 cm3; (17)Surface Tension: 29.7 dyne/cm; (18)Density: 1.021 g/cm3; (19)Flash Point: 31.3 °C; (20)Enthalpy of Vaporization: 38.16 kJ/mol; (21)Boiling Point: 161.4 °C at 760 mmHg; (22)Vapour Pressure: 2.97 mmHg at 25 °C.

Uses: it is used to produce other chemicals. For example, it is used to produce 1-(3-Fluoro-phenyl)-ethanol. This reaction will need reagent H2O, catalyst H2SO4 and solvent Acetonitrile. The reaction time is 1.5 hours with reaction temperature of 10 °C. Other conditions of this reaction are 1.)irradiation, 2.)var. of catalysts. The yield is about 95 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In addition, the vapour of this chemical can not be breathed. Besides, this chemical is flammable, and it may catch fire in contact with an ignition source. Hence, keep it away from sources of ignition.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc(\C=C)ccc1
(2) InChI: InChI=1/C8H7F/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2
(3) InChIKey: ZJSKEGAHBAHFON-UHFFFAOYAA

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