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373603-19-1

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Basic Information
CAS No.: 373603-19-1
Name: 2,4-DIFLUORO-3-METHOXY ACETOPHENONE
Article Data: 3
Molecular Structure:
Molecular Structure of 373603-19-1 (2,4-DIFLUORO-3-METHOXY ACETOPHENONE)
Formula: C9H8F2O2
Molecular Weight: 186.158
Synonyms: 1-(2,4-Difluoro-3-methoxyphenyl)ethanone;2',4'-Difluoro-3'-methoxyacetophenone;
Density: 1.213 g/cm3
Boiling Point: 246.3 °C at 760 mmHg
Flash Point: 99.8 °C
Appearance: Colorless liquid
PSA: 26.30000
LogP: 2.17600
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Specification

The systematic name of 2,4-Difluoro-3-methoxyacetophenone is 1-(2,4-difluoro-3-methoxyphenyl)ethanone. With the CAS registry number 373603-19-1, it is also named as 2',4'-Difluoro-3'-methoxyacetophenone. The product is colorless liquid which should be stored in closed, cool, ventilated and dry place. In addition, its molecular formula is C9H8F2O2 and its molecular weight is 186.15.

The other characteristics of 2,4-Difluoro-3-methoxyacetophenone can be summarized as: (1)Nominal mass: 186; (2)Average mass: 186.1554; (3)Monoisotopic mass: 186.049236; (4)ACD/LogP: 1.46; (5)# of Rule of 5 Violations: 0; (6)H bond acceptors: 2; (7)H bond donors: 0; (8)Freely Rotating Bonds: 2; (9)Polar Surface Area: 26.3 Å2; (10)Index of Refraction: 1.471; (11)Molar Refractivity: 42.94 cm3; (12)Molar Volume: 153.3 cm3; (13)Polarizability: 17.02×10-24cm3; (14)Surface Tension: 31.4 dyne/cm; (15)Density: 1.213 g/cm3; (16)Flash Point: 99.8 °C; (17)Enthalpy of Vaporization: 48.34 kJ/mol; (18)Boiling Point: 246.3 °C at 760 mmHg; (19)Vapour Pressure: 0.0274 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Fc1ccc(c(F)c1OC)C(=O)C
(2)InChI:InChI=1/C9H8F2O2/c1-5(12)6-3-4-7(10)9(13-2)8(6)11/h3-4H,1-2H3
(3)InChIKey:KTZOZLGEZVDGMS-UHFFFAOYAI
(4)Std. InChI:InChI=1S/C9H8F2O2/c1-5(12)6-3-4-7(10)9(13-2)8(6)11/h3-4H,1-2H3
(5)Std. InChIKey:KTZOZLGEZVDGMS-UHFFFAOYSA-N