CAS No.262609-07-4,DIETHYL 2,4,6-TRIFLUOROPHENYL MALONATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	262609-07-4
Name:	DIETHYL 2,4,6-TRIFLUOROPHENYL MALONATE
Article Data:	9

Formula:	C₁₃H₁₃F₃O₄
Molecular Weight:	290.239
Synonyms:	Propanedioicacid, (2,4,6-trifluorophenyl)-, diethyl ester (9CI);2,4,6-Trifluorophenylmalonate diethyl ester;2-(2,4,6-Trifluorophenyl)malonicacid diethyl ester;Diethyl 2,4,6-trifluorophenylmalonate;Diethyl2-(2,4,6-trifluorophenyl)malonate;
Density:	1.289 g/cm³
Melting Point:	46-49℃
Boiling Point:	283.7 °C at 760 mmHg
Flash Point:	121.5 °C
Hazard Symbols:	Xi

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Specification

The Diethyl (2,4,6-trifluorophenyl)malonate, with the CAS registry number 262609-07-4, has the systematic name of diethyl (2,4,6-trifluorophenyl)propanedioate. It should be stored at cool and dry encironment, and avoid contacting with oxide. And the molecular formula of the chemical is C₁₃H₁₃F₃O₄.

The characteristics of Diethyl (2,4,6-trifluorophenyl)malonate are as followings: (1)ACD/LogP: 2.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.97; (4)ACD/LogD (pH 7.4): 2.96; (5)ACD/BCF (pH 5.5): 107.07; (6)ACD/BCF (pH 7.4): 104.22; (7)ACD/KOC (pH 5.5): 987.16; (8)ACD/KOC (pH 7.4): 960.97; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.467; (14)Molar Refractivity: 62.5 cm³; (15)Molar Volume: 225.1 cm³; (16)Polarizability: 24.77×10^-24cm³; (17)Surface Tension: 36.2 dyne/cm; (18)Density: 1.289 g/cm³; (19)Flash Point: 121.5 °C; (20)Enthalpy of Vaporization: 52.26 kJ/mol; (21)Boiling Point: 283.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00311 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1cc(F)cc(F)c1C(C(=O)OCC)C(=O)OCC
(2)InChI: InChI=1/C13H13F3O4/c1-3-19-12(17)11(13(18)20-4-2)10-8(15)5-7(14)6-9(10)16/h5-6,11H,3-4H2,1-2H3
(3)InChIKey: VCCISIBKCNTCLR-UHFFFAOYAZ