3-CHLORO-5-FLUOROPHENYLACETIC ACID

The CAS register number of Benzeneacetic acid,3-chloro-5-fluoro- is 202001-00-1. It also can be called as 3-Chloro-5-fluorophenylaceticacid and the IUPAC name about this chemical is 2-(3-chloro-5-fluorophenyl)acetic acid. The molecular formula about this chemical is C₈H₆ClFO₂ and the molecular weight is 188.58.

Physical properties about Benzeneacetic acid,3-chloro-5-fluoro- are: (1)ACD/LogP: 1.71; (2)ACD/LogD (pH 5.5): 0.12; (3)ACD/LogD (pH 7.4): -1.58; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5.24; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 26.3Ų; (12)Index of Refraction: 1.548; (13)Molar Refractivity: 42.25 cm³; (14)Molar Volume: 133 cm³; (15)Polarizability: 16.75x10^-24cm³; (16)Surface Tension: 47.1 dyne/cm; (17)Flash Point: 125.6 °C; (18)Enthalpy of Vaporization: 55.24 kJ/mol; (19)Boiling Point: 284.1 °C at 760 mmHg; (20)Vapour Pressure: 0.00143 mmHg at 25°C.

Preparation: this chemical can be prepared by ethyl cyano(3-chloro-5-fluorophenyl)acetate. This reaction will need reagent aq. NaOH. The reaction time is 18 hour(s) with reaction temperature of 95 - 100 ℃. The yield is about 97%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(cc(Cl)c1)CC(=O)O
(2)InChI: InChI=1/C8H6ClFO2/c9-6-1-5(3-8(11)12)2-7(10)4-6/h1-2,4H,3H2,(H,11,12)
(3)InChIKey: GFLQMGYDUPLXHZ-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C8H6ClFO2/c9-6-1-5(3-8(11)12)2-7(10)4-6/h1-2,4H,3H2,(H,11,12)
(5)Std. InChIKey: GFLQMGYDUPLXHZ-UHFFFAOYSA-N