CAS No.: 66230-04-4 — Esfenvalerate (顺式氰戊菊酯)

1. Primary Information

English name:	Esfenvalerate
CAS No.:	66230-04-4
Molecular formula:	C₂₅H₂₂ClNO₃
Molecular weight:	419.9 g/mol
SMILES:	CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3
Structural class:
Other identifiers:	alpha-cyano-3-phenoxybenzyl 2-(4-chlorophenyl)-3- methylbutyrate alpha-cyano-3-phenoxybenzyl alpha-isopropyl-4-chlorophenyl acetate Belmark esfenvalerate fenvalarate

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	1000μg/ml in methanol	208	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in n-hexane	80	2-8℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in n-hexane	208	2-8℃	in stock	-
Kehua Intelligence	100mg	HPLC≥98%	480	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 52 54 0 1 0 0 0 0 0999 V2000 -3.3447 -4.3887 -1.6031 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4241 1.6893 0.1274 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2479 2.6458 -0.9116 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2312 -0.6166 -0.2040 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0031 1.8309 -3.2421 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5662 1.0210 0.8781 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8848 1.7315 1.2987 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7628 -0.3484 0.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6709 0.9095 2.3297 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6019 3.1184 1.8954 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7587 1.8931 -0.0786 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8256 -1.3344 0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8734 -0.5683 -0.5418 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4513 2.4371 -0.7223 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0064 -2.5916 -0.0906 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0543 -1.8255 -1.1184 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8831 2.1669 -0.3218 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1208 -2.8371 -0.8928 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3933 0.8859 -0.4524 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6569 3.2058 0.1685 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7149 0.6367 -0.0824 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2024 2.0971 -2.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9784 2.9568 0.5385 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5075 1.6722 0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4558 -1.6775 0.2333 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8082 -1.5813 1.4517 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3499 -2.8061 -0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0281 -2.6504 1.8927 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5697 -3.8750 -0.1183 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9088 -3.7971 1.1077 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9727 0.9065 1.7974 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5308 1.9069 0.4308 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9966 -0.0550 1.9313 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0671 0.7190 3.2238 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5729 1.4461 2.6444 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9213 3.0484 2.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5298 3.5853 2.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1594 3.8016 1.1654 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9544 -1.1519 1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6068 0.1979 -0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2326 3.5026 -0.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2710 -3.3704 0.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9243 -2.0014 -1.7459 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7698 0.0916 -0.8547 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2574 4.2104 0.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5955 3.7628 0.9246 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5374 1.4840 0.7034 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9035 -0.7092 2.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8634 -2.8678 -1.5137 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5164 -2.5915 2.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4762 -4.7677 -0.7298 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3009 -4.6291 1.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 11 1 0 0 0 0 2 14 1 0 0 0 0 3 11 2 0 0 0 0 4 21 1 0 0 0 0 4 25 1 0 0 0 0 5 22 3 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 31 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 32 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 12 15 1 0 0 0 0 12 39 1 0 0 0 0 13 16 2 0 0 0 0 13 40 1 0 0 0 0 14 17 1 0 0 0 0 14 22 1 0 0 0 0 14 41 1 0 0 0 0 15 18 2 0 0 0 0 15 42 1 0 0 0 0 16 18 1 0 0 0 0 16 43 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 19 21 1 0 0 0 0 19 44 1 0 0 0 0 20 23 2 0 0 0 0 20 45 1 0 0 0 0 21 24 2 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 48 1 0 0 0 0 27 29 2 0 0 0 0 27 49 1 0 0 0 0 28 30 2 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

[(S)-cyano-(3-phenoxyphenyl)methyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate

4.2 InChI

InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3/t23-,24+/m1/s1

4.3 InChIKey

NYPJDWWKZLNGGM-RPWUZVMVSA-N

4.4 Canonical SMILES

CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3

4.5 Isomeric SMILES

CC(C)[C@@H](C1=CC=C(C=C1)Cl)C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)