4-FLUOROCINNAMOYL CHLORIDE 97

The 4-Fluorocinnamoyl chloride, with the CAS registry number 13565-08-7, is also known as 2-Propenoyl chloride, 3-(4-fluorophenyl)-, (2E)-. It belongs to the product categories of Acid Halides; Carbonyl Compounds; Organic Building Blocks. This chemical's molecular formula is C₉H₆ClFO and molecular weight is 184.59. Its systematic name is called (2E)-3-(4-fluorophenyl)prop-2-enoyl chloride.

Physical properties of 4-Fluorocinnamoyl chloride: (1)ACD/LogP: 3.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.2; (4)ACD/LogD (pH 7.4): 3.2; (5)ACD/BCF (pH 5.5): 158.79; (6)ACD/BCF (pH 7.4): 158.79; (7)ACD/KOC (pH 5.5): 1309.08; (8)ACD/KOC (pH 7.4): 1309.08; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.57; (13)Molar Refractivity: 47.01 cm³; (14)Molar Volume: 143.1 cm³; (15)Surface Tension: 40.4 dyne/cm; (16)Density: 1.289 g/cm³; (17)Flash Point: 109.2 °C; (18)Enthalpy of Vaporization: 49.44 kJ/mol; (19)Boiling Point: 256.9 °C at 760 mmHg; (20)Vapour Pressure: 0.015 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical that at low levels cause damage to health. It is toxic if swallowed. In addition, it may cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(/C=C/C(Cl)=O)cc1
(2)InChI: InChI=1/C9H6ClFO/c10-9(12)6-3-7-1-4-8(11)5-2-7/h1-6H/b6-3+
(3)InChIKey: GLBIKPKWQDIQCJ-ZZXKWVIFBY