Benzoicacid,4-[[[(E)-[(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylene]amino]oxy]methyl]-,1,1-dimethylethyl ester

The Fenpyroximate, with the CAS registry number 134098-61-6, has the systematic name of tert-butyl 4-[({[(E)-(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylidene]amino}oxy)methyl]benzoate. And the molecular formula of this chemical is C₂₄H₂₇N₃O₄.

The physical properties of Fenpyroximate are as following: (1)ACD/LogP: 5.96; (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): 13168; (6)ACD/BCF (pH 7.4): 13169; (7)ACD/KOC (pH 5.5): 30927; (8)ACD/KOC (pH 7.4): 30929; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 74.94 Å²; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 120.2 cm³; (15)Molar Volume: 371.113 cm³; (16)Polarizability: 47.651×10^-24cm³; (17)Surface Tension: 39.56 dyne/cm; (18)Density: 1.136 g/cm³; (19)Flash Point: 284.141 °C; (20)Enthalpy of Vaporization: 82.525 kJ/mol; (21)Boiling Point: 546.215 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation and uses of Fenpyroximate: Put 1,3-dimethyl-5-phenoxy-4-pyrazole oxime and 4-tert-bromomethyl benzoic acid ester into the acetone solution, and add a certain amount of potassium carbonate, then reflux the solution for 8 hours, the aimed product is obtained which is a trans isomer. In addition, with an excellent anti-mite effect, it is usually used as broad-spectrum acaricide.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)c1ccc(cc1)CO\N=C\c3c(nn(c3Oc2ccccc2)C)C
(2)InChI: InChI=1/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15+
(3)InChIKey: YYJNOYZRYGDPNH-MFKUBSTIBX

The toxicity data is as follows: