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Benzoicacid, 2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]-, (1S)-2-ethoxy-1-methyl-2-oxoethyl ester

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Benzoicacid, 2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]-, (1S)-2-ethoxy-1-methyl-2-oxoethyl ester

CAS No. 131086-42-5 Density 1.387 g/cm3
PSA 61.83000 LogP 5.25950
Solubility N/A Melting Point N/A
Formula C19H16ClF3O5 Boiling Point 476.247 °C at 760 mmHg
Molecular Weight 451.226 Flash Point 160.107 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 131086-42-5 (ETHOXYFEN) Hazard Symbols N/A

Ethyl O-[2-chloro-5-(2-chloro-a,a,a-trifluoro-p-tolyloxy)benzoyl]-L-lactate;


Benzoicacid, 2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]-, (1S)-2-ethoxy-1-methyl-2-oxoethyl ester Specification

The Benzoicacid, 2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]-, (1S)-2-ethoxy-1-methyl-2-oxoethyl ester, with the CAS registry number of 131086-42-5, is also known as Ethyl O-[2-chloro-5-(2-chloro-a,a,a-trifluoro-p-tolyloxy)benzoyl]-L-lactate. Its molecular formula is C19H16ClF3O5 and molecular weight is 416.78. What's more, its IUPAC name is [(2S)-1-Ethoxy-1-oxopropan-2-yl] 2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]benzoate.

Physical properties about the Benzoicacid, 2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]-, (1S)-2-ethoxy-1-methyl-2-oxoethyl ester are: (1)ACD/LogP: 5.39; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6; (4)ACD/LogD (pH 7.4): 6; (5)ACD/BCF (pH 5.5): 12182; (6)ACD/BCF (pH 7.4): 12182; (7)ACD/KOC (pH 5.5): 29251; (8)ACD/KOC (pH 7.4): 29251; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 61.83 Å2; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 99.505 cm3; (15)Molar Volume: 325.211 cm3; (16)Surface Tension: 39.143 dyne/cm; (17)Density: 1.387 g/cm3; (18)Flash Point: 160.107 °C; (19)Enthalpy of Vaporization: 73.992 kJ/mol; (20)Boiling Point: 476.247 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc2cc(ccc2Oc1cc(C(=O)O[C@@H](C)C(=O)OCC)c(Cl)cc1)C(F)(F)F
(2) InChI: InChI=1/C19H15Cl2F3O5/c1-3-27-17(25)10(2)28-18(26)13-9-12(5-6-14(13)20)29-16-7-4-11(8-15(16)21)19(22,23)24/h4-10H,3H2,1-2H3/t10-/m0/s1

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