3',4'-DIFLUOROPROPIOPHENONE

The 1-Propanone,1-(3,4-difluorophenyl)-, with the CAS registry number of 23384-72-7, is also known as 3',4'-Difluoropropiophenone 97%. It belongs to the product categories of Phenyls & Phenyl-Het; Miscellaneous; Phenyls & Phenyl-Het. Its EINECS registry number is 245-627-2. This chemical's molecular formula is C₉H₈F₂O and molecular weight is 170.16. What's more, its IUPAC name is 1-(3,4-Difluorophenyl)propan-1-one. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about the 1-Propanone,1-(3,4-difluorophenyl)- are: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.26; (4)ACD/LogD (pH 7.4): 2.26; (5)ACD/BCF (pH 5.5): 30.9; (6)ACD/BCF (pH 7.4): 30.9; (7)ACD/KOC (pH 5.5): 405.61; (8)ACD/KOC (pH 7.4): 405.61; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.472; (14)Molar Refractivity: 40.9 cm³; (15)Molar Volume: 145.8 cm³; (16)Surface Tension: 31.8 dyne/cm; (17)Density: 1.166 g/cm³; (18)Flash Point: 84.8 °C; (19)Enthalpy of Vaporization: 46.15 kJ/mol; (20)Boiling Point: 225 °C at 760 mmHg; (21)Vapour Pressure: 0.0886 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing, gloves.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc(C(=O)CC)cc1F
(2) InChI: InChI=1/C9H8F2O/c1-2-9(12)6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3
(3) InChIKey: FSZOBSMJJFHVCQ-UHFFFAOYAD