CAS No.: 111812-58-9 — Fenpyroximate (唑螨酯)

1. Primary Information

English name:	Fenpyroximate
CAS No.:	111812-58-9
Molecular formula:	C₂₄H₂₇N₃O₄
Molecular weight:	421.5 g/mol
SMILES:	CC1=NN(C(=C1C=NOCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C
Structural class:
Other identifiers:	fenperoximate fenpyroximate

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1ml	100μg/ml in n-hexane	152	-20°C	in stock	-
Kehua Intelligence	1ml	1000μg/ml in n-hexane	464	-20°C	in stock	-
Kehua Intelligence	100mg	HPLC≥98%	262	-20°C	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 58 60 0 0 0 0 0 0 0999 V2000 -6.1939 0.3508 -0.7552 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8644 0.9642 -1.1731 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3821 -1.1897 0.1212 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5499 0.0590 1.5003 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0612 -0.9913 -0.6556 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9058 -2.2484 -0.2063 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6684 -1.7440 0.1500 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5019 0.9050 -0.9019 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6843 1.2707 -2.3732 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6039 2.1499 -0.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5262 -0.1469 -0.4786 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8503 -0.0300 0.5032 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4736 -0.5855 0.5212 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9267 -1.1543 -0.3331 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8944 -0.2911 -0.7488 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5877 -2.3395 -0.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9161 -1.6213 0.5548 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9971 -1.2229 -0.6063 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7137 -0.4490 1.6648 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7043 -1.7465 -0.5891 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4209 -0.9725 1.6818 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5334 -2.1799 0.5732 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0153 -3.6010 0.4919 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5080 -0.8517 -0.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3853 -0.5164 -0.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3866 2.0014 -0.3893 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7750 2.0781 0.9359 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5330 2.9327 -0.9519 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2930 3.1221 1.7256 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0512 3.9768 -0.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4312 4.0714 1.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6710 1.7040 -2.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9212 1.9901 -2.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5624 0.3876 -3.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7138 2.7807 -0.1292 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4765 2.7496 -0.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7251 1.9428 1.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2894 -1.1228 -0.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5299 0.1387 -0.8152 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6060 -0.2931 0.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5948 -1.3456 -1.5045 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0943 0.0571 2.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3226 -2.2507 -1.4731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8156 -0.8660 2.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4705 -3.0645 -0.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2634 -2.4972 1.5886 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7890 -4.3595 0.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5055 -3.4434 1.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2974 -4.0145 -0.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1744 0.1531 -0.5704 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8619 -0.1797 -0.0601 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3146 0.3070 -1.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9539 -1.3364 -1.4305 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4547 1.3558 1.3778 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2356 2.8594 -1.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5909 3.1975 2.7673 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3799 4.7158 -0.5899 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0565 4.8846 1.7911 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 2 15 1 0 0 0 0 2 26 1 0 0 0 0 3 7 1 0 0 0 0 3 22 1 0 0 0 0 4 12 2 0 0 0 0 5 6 1 0 0 0 0 5 15 1 0 0 0 0 5 25 1 0 0 0 0 6 16 2 0 0 0 0 7 24 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 14 24 1 0 0 0 0 16 23 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 18 20 1 0 0 0 0 18 41 1 0 0 0 0 19 21 2 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 54 1 0 0 0 0 28 30 2 0 0 0 0 28 55 1 0 0 0 0 29 31 2 0 0 0 0 29 56 1 0 0 0 0 30 31 1 0 0 0 0 30 57 1 0 0 0 0 31 58 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

tert-butyl 4-[[(E)-(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylideneamino]oxymethyl]benzoate

4.2 InChI

InChI=1S/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+

4.3 InChIKey

YYJNOYZRYGDPNH-MFKUBSTISA-N

4.4 Canonical SMILES

CC1=NN(C(=C1C=NOCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C

4.5 Isomeric SMILES

CC1=NN(C(=C1/C=N/OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C

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)