3-Fluorophenylacetic acid

The (3-Fluorophenyl)acetic acid, with the CAS registry number 331-25-9, is also known as 3-Fluorophenylacetic acid. It belongs to the product categories of Phenylacetic Acid Series; Aromatic Phenylacetic Acids and Derivatives; Fluorobenzene; Phenylacetic Acid; C8; Carbonyl Compounds; Carboxylic Acids. Its EINECS registry number is 206-360-7. This chemical's molecular formula is C₈H₇FO₂ and molecular weight is 154.14. What's more, its IUPAC name is called 2-(3-Fluorophenyl)acetic acid.

Physical properties about (3-Fluorophenyl)acetic acid are: (1)ACD/LogP: 1.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.14; (4)ACD/LogD (pH 7.4): -1.62; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.38; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 37.36 cm³; (15)Molar Volume: 121 cm³; (16)Surface Tension: 44.5 dyne/cm; (17)Density: 1.272 g/cm³; (18)Flash Point: 108.7 °C; (19)Enthalpy of Vaporization: 52.15 kJ/mol; (20)Boiling Point: 256.1 °C at 760 mmHg; (21)Vapour Pressure: 0.00808 mmHg at 25 °C.

Uses of (3-Fluorophenyl)acetic acid: (1) it is used as medicine intermediates; (2) it is used to produce other chemicals. For example, it is used to produce (m-Fluorophenyl)acetone. The reaction occurs with reagent Lithium bromide and solvents Tetrahydrofuran, Diethyl ether heating for 1 hour. The yield is 97 %.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. The gas of this chemical can not be breathed. Therefore, you should wear suitable protective clothing and avoid contacting with skin and eyes. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: C1=CC(=CC(=C1)F)CC(=O)O
(2) InChI: InChI=1S/C8H7FO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
(3) InChIKey: YEAUYVGUXSZCFI-UHFFFAOYSA-N