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138350-43-3

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Basic Information
CAS No.: 138350-43-3
Name: 1-[2-(5-METHYL-2-FURYL)PHENYL]ETHANONE
Article Data: 2
Molecular Structure:
Molecular Structure of 138350-43-3 (1-[2-(5-METHYL-2-FURYL)PHENYL]ETHANONE)
Formula: C13H12O2
Molecular Weight: 200.23
Synonyms: 1-[2-(5-METHYL-2-FURYL)PHENYL]ETHANONE
Density: 1.08 g/cm3
Boiling Point: 310.5 °C at 760 mmHg
Flash Point: 138.3 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
PSA: 30.21000
LogP: 3.45760
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  • Ethanone, 1-(5-methyl-2-furanyl)-2-phenyl-

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    138350-43-3

    Ethanone, 1-(5-methyl-2-furanyl)-2-phenyl-

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  • Ethanone, 1-(5-methyl-2-furanyl)-2-phenyl-

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    Ethanone, 1-(5-methyl-2-furanyl)-2-phenyl-

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  • 1-[2-(5-METHYL-2-FURYL)PHENYL]ETHANONE

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    1-[2-(5-METHYL-2-FURYL)PHENYL]ETHANONE

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    high purity Application:Drug intermediates Materials intermediates and active molecules

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Specification

The Ethanone, 1-(5-methyl-2-furanyl)-2-phenyl-, with CAS registry number 138350-43-3, has the systematic name of 1-[2-(5-methylfuran-2-yl)phenyl]ethanone. Besides this, it is also called 1-[2-(5-Methyl-2-furyl)phenyl]ethanone. And the chemical formula of this chemical is C13H12O2.

Physical properties of Ethanone, 1-(5-methyl-2-furanyl)-2-phenyl-: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 30.21 Å2; (7)Index of Refraction: 1.538; (8)Molar Refractivity: 57.99 cm3; (9)Molar Volume: 185.3 cm3; (10)Polarizability: 22.99×10-24cm3; (11)Surface Tension: 37.1 dyne/cm; (12)Density: 1.08 g/cm3; (13)Flash Point: 138.3 °C; (14)Enthalpy of Vaporization: 55.14 kJ/mol; (15)Boiling Point: 310.5 °C at 760 mmHg; (16)Vapour Pressure: 0.000597 mmHg at 25°C.

Preparation: this chemical can be prepared by 5-methyl-furan-2-carbonyl chloride and bromomethyl-benzene. The reaction will need reagents Pd(PPh3)2Cl2, Zn and solvent 1,2-dimethoxy-ethane. The reaction time is 20 min. The yield is about 81%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1c2oc(cc2)C)C
(2)InChI: InChI=1/C13H12O2/c1-9-7-8-13(15-9)12-6-4-3-5-11(12)10(2)14/h3-8H,1-2H3
(3)InChIKey: KQSFUIRGJGRYGF-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C13H12O2/c1-9-7-8-13(15-9)12-6-4-3-5-11(12)10(2)14/h3-8H,1-2H3
(5)Std. InChIKey: KQSFUIRGJGRYGF-UHFFFAOYSA-N