1-ACETOXY-3-FLUOROBENZENE

The Phenol, 3-fluoro-,1-acetate, with the CAS registry number 701-83-7, has the systematic name of 3-fluorophenyl acetate. It belongs to the following product categories: Anisoles, Alkyloxy Compounds & Phenylacetates; Fluorine Compounds; C8 to C9; Carbonyl Compounds; Esters. And the molecular formula of the chemical is C₈H₇FO₂.

The characteristics of Phenol, 3-fluoro-,1-acetate are as followings: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.74; (4)ACD/LogD (pH 7.4): 1.74; (5)ACD/BCF (pH 5.5): 12.37; (6)ACD/BCF (pH 7.4): 12.37; (7)ACD/KOC (pH 5.5): 210.65; (8)ACD/KOC (pH 7.4): 210.65; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.484; (14)Molar Refractivity: 37.58 cm³; (15)Molar Volume: 131.2 cm³; (16)Polarizability: 14.9×10^-24cm³; (17)Surface Tension: 33.5 dyne/cm; (18)Density: 1.174 g/cm³; (19)Flash Point: 71 °C; (20)Enthalpy of Vaporization: 43.27 kJ/mol; (21)Boiling Point: 196.5 °C at 760 mmHg; (22)Vapour Pressure: 0.397 mmHg at 25°C. 

Preparation of Phenol, 3-fluoro-,1-acetate: This chemical can be prepared by acetic acid anhydride and 3-fluoro-phenol. The reaction will need reagent conc. H₂SO₄, and the yield is about 87%. 

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful if swallowed. What's more, it may cause sensitization by skin contact. Therefore, you had better take the following instructions: Avoid contact with skin and eyes, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(Oc1cccc(F)c1)C
(2)InChI: InChI=1/C8H7FO2/c1-6(10)11-8-4-2-3-7(9)5-8/h2-5H,1H3
(3)InChIKey: IAWZWMGUTKRLQB-UHFFFAOYAK