1-Propanone,1-(4-fluorophenyl)-

The 4'-Fluoropropiophenone with CAS registry number of 456-03-1 is also known as 1-Propanone,1-(4-fluorophenyl)-. The IUPAC name is 1-(4-Fluorophenyl)propan-1-one. It belongs to product categories of Acetophenone Series; Aromatic Ketones (substituted); Ketone; Fluorobenzene; Adehydes, Acetals & Ketones; Fluorine Compounds; C9; Carbonyl Compounds; Ketones. Its EINECS registry number is 207-255-9. In addition, the formula is C₉H₉FO and the molecular weight is 152.17. This chemical is a clear yellow liquid after melting that may cause inflammation to the skin or other mucous membranes and may cause damage to health. It should be sealed in ventilated and dry place away from oxidants.

Physical properties about 4'-Fluoropropiophenone are: (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.25; (4)ACD/LogD (pH 7.4): 2.25; (5)ACD/BCF (pH 5.5): 30.27; (6)ACD/BCF (pH 7.4): 30.27; (7)ACD/KOC (pH 5.5): 399.7; (8)ACD/KOC (pH 7.4): 399.7; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.489; (12)Molar Refractivity: 40.9 cm³; (13)Molar Volume: 141.6 cm³; (14)Surface Tension: 32.9 dyne/cm; (15)Density: 1.074 g/cm³; (16)Flash Point: 82.6 °C; (17)Enthalpy of Vaporization: 45.23 kJ/mol; (18)Boiling Point: 215.9 °C at 760 mmHg; (19)Vapour Pressure: 0.144 mmHg at 25 °C.

Uses of 4'-Fluoropropiophenone: it is used to produce methyl-a-(p-fluorophenyl)propanat by reaction with methyl-a-(p-fluorophenyl)propanat. The reaction occurs with reagents N-trifluoromethanesulfonyl-4-(diacetoxyiodo)pyrrazole, sulfuric acid at the temperature of 60 °C for 2 hours. The yield is about 93%.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. It is harmful if swallowed and also has risk of serious damage to eyes. During using it, wear suitable gloves and eye/face protection. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CCC(=O)C1=CC=C(C=C1)F
2. InChI: InChI=1S/C9H9FO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
3. InChIKey: QIJNVLLXIIPXQT-UHFFFAOYSA-N