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1999-00-4

Basic Information
CAS No.: 1999-00-4
Name: Benzenepropanoic acid,4-fluoro-b-oxo-, ethyl ester
Molecular Structure:
Molecular Structure of 1999-00-4 (Benzenepropanoic acid,4-fluoro-b-oxo-, ethyl ester)
Formula: C11H11FO3
Molecular Weight: 210.20
Synonyms: Aceticacid, (p-fluorobenzoyl)-, ethyl ester (7CI,8CI);3-(4-Fluorophenyl)-3-oxopropanoic acid ethyl ester;Ethyl(4-fluorobenzoyl)acetate;Ethyl (p-fluorobenzoyl)acetate;Ethyl2-(4-fluorobenzoyl)acetate;Ethyl 2-(p-fluorobenzoyl)acetate;Ethyl 3-(4-fluorophenyl)-3-oxopropionate;Ethyl 3-oxo-3-(4-fluorophenyl)propionate;Ethyl a-(p-fluorobenzoyl)acetate;
EINECS:
Density: 1.179 g/cm3
Melting Point: 117-120℃
Boiling Point: 280.4 °C at 760 mmHg
Flash Point: 119.6 °C
Solubility:
Appearance:
Hazard Symbols: IrritantXi
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
Safety: 24/25
Transport Information:
PSA: 43.37000
LogP: 1.96160
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    Ethyl 3-(4-fluorophenyl)-3-oxopropanoate

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  • Ethyl 3-(4-fluorophenyl)-3-oxopropanoate

  • Casno:

    1999-00-4

    Ethyl 3-(4-fluorophenyl)-3-oxopropanoate

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  • Ethyl 3-(4-fluorophenyl)-3-oxopropanoate

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    1999-00-4

    Ethyl 3-(4-fluorophenyl)-3-oxopropanoate

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  • Ethyl 3-(4-fluorophenyl)-3-oxopropanoate manufacturer

  • Casno:

    1999-00-4

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    Known for its best quality and competitve price, this chemicals we offered is widely appreciated by our customers.Appearance:White powder Storage:keep sealed and keep from direct light Package:According client's requirements Application:pharmaceutica

    Shanghai Yuanye Bio-Technology Co., Ltd. is a comprehensive enterprise of life science, specializing in the research, development and sales of biochemical reagents, analytical stan

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  • Ethyl4-fluorobenzoylacetate

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    1999-00-4

    Ethyl4-fluorobenzoylacetate

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    High quality Products with prompt delivery Package:based on customer requirement Application:organic intermediates Transportation:By air or By sea Port:any port of China

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  • Ethyl 3-(4-fluorophenyl)-3-oxopropanoate

  • Casno:

    1999-00-4

    Ethyl 3-(4-fluorophenyl)-3-oxopropanoate

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    Best Seller, High Quality, Competitive Price, Fast Delivery, Quick ResponseAppearance:powder, or liquid Storage:Stored in room temperature, ventilated place Package:Bottle, barrel, cargo, container, etc. Application:Pharmaceuticals, intermediates, AP

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  • ethyl3-(4-fluorophenyl)-3-oxopropanoate

  • Casno:

    1999-00-4

    ethyl3-(4-fluorophenyl)-3-oxopropanoate

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Specification

The systematic name of Ethyl 3-(4-fluorophenyl)-3-oxopropanoate is ethyl 3-(4-fluorophenyl)-3-oxopropanoate. With the CAS registry number 1999-00-4, it is also named as 4-Fluorobenzoylacetic acid ethyl ester. The product's categories are Benzene Series; Benzoic Acid; Acids & Esters; Fluorine Compounds. In addition, its molecular formula is C11H11FO3 and its molecular weight is 210.20. Besides, this chemical should be stored in sealed container in cool and dry place. And you should ensure that the workplaces have good ventilated or exhaust devices.

The other characteristics of Ethyl 3-(4-fluorophenyl)-3-oxopropanoate can be summarized as: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.93; (4)ACD/LogD (pH 7.4): 1.92; (5)ACD/BCF (pH 5.5): 17.11; (6)ACD/BCF (pH 7.4): 17.05; (7)ACD/KOC (pH 5.5): 265.74; (8)ACD/KOC (pH 7.4): 264.76; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.494; (14)Molar Refractivity: 51.94 cm3; (15)Molar Volume: 178.1 cm3; (16)Polarizability: 20.59×10-24cm3; (17)Surface Tension: 38.4 dyne/cm; (18)Density: 1.179 g/cm3; (19)Flash Point: 119.6 °C; (20)Enthalpy of Vaporization: 51.91 kJ/mol; (21)Boiling Point: 280.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0038 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(c1ccc(F)cc1)CC(=O)OCC
(2)InChI: InChI=1/C11H11FO3/c1-2-15-11(14)7-10(13)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3
(3)InChIKey: SJUXLKYJKQBZLM-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C11H11FO3/c1-2-15-11(14)7-10(13)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3
(5)Std. InChIKey: SJUXLKYJKQBZLM-UHFFFAOYSA-N