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2-Propen-1-one,3-(4-fluorophenyl)-1-phenyl-

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Name

2-Propen-1-one,3-(4-fluorophenyl)-1-phenyl-

EINECS N/A
CAS No. 1608-51-1 Density 1.166 g/cm3
PSA 17.07000 LogP 3.72180
Solubility N/A Melting Point 84-88 °C
Formula C15H11FO Boiling Point 345.9 °C at 760 mmHg
Molecular Weight 226.25 Flash Point 157.3 °C
Transport Information N/A Appearance Yellow crystalline powder
Safety 37/39-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 1608-51-1 (4-FLUOROCHALCONE) Hazard Symbols IrritantXi
Synonyms

Chalcone,4-fluoro- (6CI,7CI,8CI);3-(4-Fluorophenyl)-1-phenyl-2-propen-1-one;4-Fluorochalcone;NSC 88515;Phenyl p-fluorostyryl ketone;p-Fluorostyrylphenyl ketone;3-(4-Fluorophenyl)-1-phenylprop-2-en-1-one;

Article Data 182

2-Propen-1-one,3-(4-fluorophenyl)-1-phenyl- Specification

The 2-Propen-1-one,3-(4-fluorophenyl)-1-phenyl-, with the CAS registry number 1608-51-1, is also known as 4-Fluorochalcone. This chemical's molecular formula is C15H11FO and molecular weight is 226.25. What's more, its systematic name is 3-(4-Fluorophenyl)-1-phenylprop-2-en-1-one. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place.

Physical properties of 2-Propen-1-one,3-(4-fluorophenyl)-1-phenyl- are: (1)ACD/LogP: 4.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.02; (4)ACD/LogD (pH 7.4): 4.02; (5)ACD/BCF (pH 5.5): 671.25; (6)ACD/BCF (pH 7.4): 671.25; (7)ACD/KOC (pH 5.5): 3673.54; (8)ACD/KOC (pH 7.4): 3673.54; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 67.1 cm3; (15)Molar Volume: 194 cm3; (16)Polarizability: 26.6×10-24 cm3; (17)Surface Tension: 43.4 dyne/cm; (18)Density: 1.166 g/cm3; (19)Flash Point: 157.3 °C; (20)Enthalpy of Vaporization: 59 kJ/mol; (21)Boiling Point: 345.9 °C at 760 mmHg; (22)Vapour Pressure: 5.97E-05 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 gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc2ccc(C=CC(=O)c1ccccc1)cc2
(2)InChI: InChI=1S/C15H11FO/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11H
(3)InChIKey: NYSCQZARWVHQBE-UHFFFAOYSA-N

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