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2'-Fluoro-6'-methoxyacetophenone

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Name

2'-Fluoro-6'-methoxyacetophenone

EINECS N/A
CAS No. 120484-50-6 Density 1.127 g/cm3
PSA 26.30000 LogP 2.03690
Solubility N/A Melting Point N/A
Formula C9H9FO2 Boiling Point 216.8 °C at 760 mmHg
Molecular Weight 168.168 Flash Point 82.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 120484-50-6 (2'-Fluoro-6'-methoxyacetophenone) Hazard Symbols IrritantXi
Synonyms

1-(2-Fluoro-6-methoxyphenyl)ethanone;

Article Data 6

2'-Fluoro-6'-methoxyacetophenone Specification

The Ethanone,1-(2-fluoro-6-methoxyphenyl)-, with its CAS registry number 120484-50-6, has the systematic name of 1-(2-fluoro-6-methoxyphenyl)ethanone. With its molecular foumula of C9H9FO2, it has the formula weight of 168.16. Besides, its product categories are including Aromatic Acetophenones & Derivatives (substituted). When you are using this chemical, you should be careful. It may cause inflammation to the skin or other mucous membranes. Besides, when you store it, put it in the cool and well-ventilated place, away from the oxide, such as acid. In addition, this chemical will not decompose if follow the using and storage specifications.

The characteristics of Ethanone,1-(2-fluoro-6-methoxyphenyl)- are as follows: (1)ACD/LogP: 1.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.56; (4)ACD/LogD (pH 7.4): 1.56; (5)ACD/BCF (pH 5.5): 9.03; (6)ACD/BCF (pH 7.4): 9.03; (7)ACD/KOC (pH 5.5): 168.13; (8)ACD/KOC (pH 7.4): 168.13; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 42.95 cm3; (15)Molar Volume: 149.1 cm3; (16)Polarizability: 17.02×10-24cm3; (17)Surface Tension: 32.5 dyne/cm; (18)Density: 1.127 g/cm3; (19)Flash Point: 82.7 °C; (20)Enthalpy of Vaporization: 45.32 kJ/mol; (21)Boiling Point: 216.8 °C at 760 mmHg; (22)Vapour Pressure: 0.137 mmHg at 25°C.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:Fc1cccc(OC)c1C(=O)C
(2)InChI:InChI=1/C9H9FO2/c1-6(11)9-7(10)4-3-5-8(9)12-2/h3-5H,1-2H3
(3)InChIKey:POHCKHGBDOTACV-UHFFFAOYAA
(4)Std. InChI:InChI=1S/C16H16F2N2O4S/c1-20(2)25(22,23)13-5-3-4-11(8-13)19-16(21)10-24-12-6-7-14(17)15(18)9-12/h3-9H,10H2,1-2H3,(H,19,21)
(5)Std. InChIKey:ICISTCRVUABFBE-UHFFFAOYSA-N

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