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

Name
4-FLUOROCHALCONE
EINECS
CAS No. 1608-51-1
Article Data182
CAS DataBase
Density 1.166 g/cm³
Solubility
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
Appearance Yellow crystalline powder
Safety 37/39-26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
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;
PSA 17.07000
LogP 3.72180

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^-24cm³; (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

Product Name

4-FLUOROCHALCONE

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

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