Ethyl 3-fluorobenzoylformate supplier

Name
ETHYL 3-FLUOROBENZOYLFORMATE
EINECS
CAS No. 110193-59-4
Article Data9
CAS DataBase
Density 1.213 g/cm³
Solubility
Melting Point
Formula C₁₀H₉FO₃
Boiling Point 271.7 °C at 760 mmHg
Molecular Weight 196.178
Flash Point 114.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl (3-fluorophenyl)(oxo)acetate;
PSA 43.37000
LogP 1.57150

Ethyl 3-fluorobenzoylformate Specification

The Benzeneacetic acid, 3-fluoro-a-oxo-, ethyl ester, with the CAS registry number of 110193-59-4, is also known as Ethyl (3-fluorobenzoyl)acetate. It belongs to the product category of Aromatic Esters. This chemical's molecular formula is C₁₀H₉FO₃ and molecular weight is 196.18. What's more, its systematic name is Ethyl (3-fluorophenyl)(oxo)acetate.

Physical properties about Benzeneacetic acid, 3-fluoro-a-oxo-, ethyl ester are: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.05; (4)ACD/LogD (pH 7.4): 2.05; (5)ACD/BCF (pH 5.5): 21.4; (6)ACD/BCF (pH 7.4): 21.4; (7)ACD/KOC (pH 5.5): 311.86; (8)ACD/KOC (pH 7.4): 311.86; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.497; (14)Molar Refractivity: 47.31 cm³; (15)Molar Volume: 161.6 cm³; (16)Surface Tension: 38.9 dyne/cm; (17)Density: 1.213 g/cm³; (18)Flash Point: 114.6 °C; (19)Enthalpy of Vaporization: 51 kJ/mol; (20)Boiling Point: 271.7 °C at 760 mmHg; (21)Vapour Pressure: 0.00633 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1cc(F)ccc1)C(=O)OCC
(2) InChI: InChI=1/C10H9FO3/c1-2-14-10(13)9(12)7-4-3-5-8(11)6-7/h3-6H,2H2,1H3
(3) InChIKey: MOXJARUICGBSPM-UHFFFAOYAY

Product Name

ETHYL 3-FLUOROBENZOYLFORMATE

Ethyl 3-fluorobenzoylformate Specification

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