CAS No.: 131860-33-8 — Azoxystrobin (-)

1. Primary Information

English name:	Azoxystrobin
CAS No.:	131860-33-8
Molecular formula:	C₂₂H₁₇N₃O₅
Molecular weight:	403.4 g/mol
SMILES:	COC=C(C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)C(=O)OC
Structural class:
Other identifiers:	amistar azoxy-strobin azoxystrobin ICIA 5504 ICIA-5504

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	HPLC≥99%	288	2-8℃	in stock	-
Kehua Intelligence	1ml	1000μg/ml in acetone	248	2-8℃	in stock	-
Kehua Intelligence	1ml	1000μg/ml in methylbenzene	248	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	152	2-8℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol	248	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in acetonitrile	121	-20℃	in stock	-
Kehua Intelligence	5g	98%	160	2-8℃	in stock	-
Kehua Intelligence	25g	98%	390	2-8℃	in stock	-
Kehua Intelligence	100g	98%	1142	2-8℃	in stock	-
Kehua Intelligence	500g	98%	2128	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 47 49 0 0 0 0 0 0 0999 V2000 -1.4271 0.2138 0.8151 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2635 -0.1857 1.3727 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9307 -0.0882 1.8129 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8718 -1.5619 -2.1836 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1005 -2.3148 1.2514 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0758 -0.2840 -1.0025 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3086 -0.4881 -0.7188 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3925 3.0554 0.3228 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4650 0.6062 -0.3956 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2465 1.0402 0.1042 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9147 -0.7779 -0.1703 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2888 1.4578 -1.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8422 2.3558 -0.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8844 2.7734 -1.3435 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6611 3.2225 -0.8462 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1599 -0.0206 0.3116 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7088 -1.1781 1.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6068 -1.7508 -1.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9103 0.0292 1.1707 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1385 -0.2160 0.5918 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4725 -0.4355 0.7544 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2159 0.6013 0.2128 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9180 -1.7474 0.6934 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4344 0.3204 -0.4052 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1366 -2.0285 0.0754 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8947 -0.9946 -0.4738 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1759 -0.5062 -1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6942 -0.3239 3.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1442 -2.7305 -2.5223 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7611 1.9568 0.2735 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2452 1.1222 -1.5099 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8971 2.7260 0.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5223 3.4485 -1.9064 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3474 4.2475 -1.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9255 -2.7783 -0.9157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8004 0.2458 2.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3321 -2.5560 1.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0376 1.1148 -0.8384 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4951 -3.0523 0.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8435 -1.2136 -0.9549 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2827 -0.7232 -2.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1748 -1.0356 3.6492 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7970 0.6256 3.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6917 -0.6919 2.7423 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8197 -3.5434 -2.8108 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4966 -3.0483 -1.6974 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5084 -2.4982 -3.3818 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 16 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 17 1 0 0 0 0 3 28 1 0 0 0 0 4 18 1 0 0 0 0 4 29 1 0 0 0 0 5 17 2 0 0 0 0 6 16 2 0 0 0 0 6 27 1 0 0 0 0 7 20 1 0 0 0 0 7 27 2 0 0 0 0 8 30 3 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 2 0 0 0 0 10 13 2 0 0 0 0 11 17 1 0 0 0 0 11 18 2 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 13 15 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 16 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 22 24 2 0 0 0 0 22 30 1 0 0 0 0 23 25 1 0 0 0 0 23 37 1 0 0 0 0 24 26 1 0 0 0 0 24 38 1 0 0 0 0 25 26 2 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 28 42 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate

4.2 InChI

InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+

4.3 InChIKey

WFDXOXNFNRHQEC-GHRIWEEISA-N

4.4 Canonical SMILES

COC=C(C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)C(=O)OC

4.5 Isomeric SMILES

CO/C=C(\C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)/C(=O)OC

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)