The 2-Propanone,1-(2,3-difluorophenyl)- , with the CAS registry number 101712-19-0, is also known as 1-Methyl-5-phenyl-1H-pyrazole-3-carboxylic acid. It belongs to the product category of Miscellaneous. This chemical's molecular formula is C9H8F2O and molecular weight is 170.16. What's more, its systematic name is 1-(2,3-difluorophenyl)propan-1-one.
Physical properties of 2-Propanone,1-(2,3-difluorophenyl)- are: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.84; (4)ACD/LogD (pH 7.4): 1.84; (5)ACD/BCF (pH 5.5): 14.68; (6)ACD/BCF (pH 7.4): 14.68; (7)ACD/KOC (pH 5.5): 238.08; (8)ACD/KOC (pH 7.4): 238.08; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)2 Polar Surface Area: 17.07 Å2; (12)Index of Refraction: 1.472; (13)Molar Refractivity: 40.9 cm3; (14)Molar Volume: 145.8 cm3; (15)Polarizability: 16.21×10-24 cm3; (16)Surface Tension: 31.8 dyne/cm; (17)Density: 1.166 g/cm3; (18)Flash Point: 79.8 °C; (19)Enthalpy of Vaporization: 44.94 kJ/mol; (20)Boiling Point: 213.1 °C at 760 mmHg; (21)Vapour Pressure: 0.167 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: Fc1c(C(=O)CC)cccc1F
(2)InChI: InChI=1/C9H8F2O/c1-2-8(12)6-4-3-5-7(10)9(6)11/h3-5H,2H2,1H3
(3)InChIKey: YJTONCLNMFGPAE-UHFFFAOYAE
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