CAS No.: 175013-18-0 — Pyraclostrobin (-)

1. Primary Information

English name:	Pyraclostrobin
CAS No.:	175013-18-0
Molecular formula:	C₁₉H₁₈ClN₃O₄
Molecular weight:	387.8 g/mol
SMILES:	COC(=O)N(C1=CC=CC=C1COC2=NN(C=C2)C3=CC=C(C=C3)Cl)OC
Structural class:
Other identifiers:	BAS-500F F 500 F-500 methyl 2-(1-(4-chlorophenyl)pyrazol-3-yloxymethyl)-N-methoxycarbanilate methyl N-(2-(1-(4-chlorophenyl)-1H-pyrazol-3-yloxymethyl)phenyl)-(N-methoxy)carbamate

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	HPLC≥99%	480	2-8℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methylbenzene	208	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methylbenzene	80	2-8℃	in stock	-
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	100μg/ml in methanol	64	-20℃，避光	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol	166	-20℃，避光	in stock	-
Kehua Intelligence	5g	≥98%	390	2-8℃	in stock	-
Kehua Intelligence	25g	≥98%	1171	2-8℃	in stock	-
Kehua Intelligence	100g	≥98%	2800	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 45 47 0 0 0 0 0 0 0999 V2000 8.2915 -0.5917 -1.3721 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3936 1.0695 0.1678 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9289 -1.2908 0.0191 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7134 -3.0462 0.1204 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4583 -1.5995 -0.1070 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8376 0.2497 0.6960 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2601 -0.8090 -0.0851 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8457 0.6214 -0.1309 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7231 1.5245 0.3185 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5637 0.5766 -0.2295 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4874 1.1522 1.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0364 2.8751 0.1654 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7053 0.9237 -0.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8171 0.7018 0.6944 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1268 0.0498 0.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1843 3.2499 -0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0187 2.2743 -1.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4465 0.1016 1.9944 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1055 0.3975 2.0184 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1396 -0.3348 1.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3853 0.2386 -1.1452 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2474 -1.7888 -0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4306 -0.5337 0.5876 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 0.0396 -1.6347 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6988 -0.3465 -0.7684 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4316 -1.5764 -1.2886 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6490 -4.1283 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2757 1.9476 1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6232 0.2465 1.6736 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3943 3.6474 0.5808 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3491 0.2135 -1.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4258 4.3016 -0.6564 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9032 2.5675 -1.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0941 -0.1902 2.8081 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4669 0.3844 2.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9954 -0.4962 2.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6182 0.5390 -1.8537 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2184 -0.8345 1.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8712 0.1890 -2.6937 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0251 -2.3544 -1.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4211 -0.6716 -1.9045 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4046 -1.9380 -1.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2309 -4.1902 -0.7284 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3063 -4.0001 1.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0846 -5.0565 0.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 11 1 0 0 0 0 2 14 1 0 0 0 0 3 7 1 0 0 0 0 3 26 1 0 0 0 0 4 22 1 0 0 0 0 4 27 1 0 0 0 0 5 22 2 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 6 18 1 0 0 0 0 7 10 1 0 0 0 0 7 22 1 0 0 0 0 8 14 2 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 28 1 0 0 0 0 11 29 1 0 0 0 0 12 16 1 0 0 0 0 12 30 1 0 0 0 0 13 17 1 0 0 0 0 13 31 1 0 0 0 0 14 19 1 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 16 17 2 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 23 1 0 0 0 0 20 36 1 0 0 0 0 21 24 2 0 0 0 0 21 37 1 0 0 0 0 23 25 2 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate

4.2 InChI

InChI=1S/C19H18ClN3O4/c1-25-19(24)23(26-2)17-6-4-3-5-14(17)13-27-18-11-12-22(21-18)16-9-7-15(20)8-10-16/h3-12H,13H2,1-2H3

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)

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)