CAS No.: 66246-88-6 — Penconazole (戊菌唑)

1. Primary Information

English name:	Penconazole
CAS No.:	66246-88-6
Molecular formula:	C₁₃H₁₅Cl₂N₃
Molecular weight:	284.18 g/mol
SMILES:	CCCC(CN1C=NC=N1)C2=C(C=C(C=C2)Cl)Cl
Structural class:
Other identifiers:	1-(2,4-dichloro-beta-propylphenethyl)-1H-1,2,4-triazole penconazole

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	100μg/ml in methylbenzene	152	2-8℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methylbenzene	288	2-8℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol	288	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	152	2-8℃	in stock	-
Kehua Intelligence	1ml	100μg/ml in n-hexane	152	2-8℃	in stock	-
Kehua Intelligence	100mg	HPLC≥98%	320	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 33 34 0 1 0 0 0 0 0999 V2000 -0.2526 0.0693 -2.6390 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.5669 3.9919 0.2294 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3081 -0.5554 0.4485 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3495 0.6878 0.9217 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0236 0.2722 -0.5807 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0129 -1.4394 0.0381 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9823 -2.5550 0.4933 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2688 -1.4779 0.9025 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6557 -0.0603 0.0537 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2327 -2.6599 -0.3868 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7925 0.6670 -1.1123 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0908 0.4241 1.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1629 -3.7600 0.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3870 1.9278 -1.0582 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6851 1.6846 1.3271 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2912 -0.8078 -0.4374 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8333 2.4366 0.1615 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4132 1.1543 0.2642 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3036 -1.7200 -0.9709 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4538 -3.5170 0.4674 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2843 -2.4005 1.5368 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7149 -2.4801 0.8716 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0743 -1.2505 1.9574 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9405 -2.8665 -1.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7882 -1.7161 -0.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9880 -0.1433 2.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5005 -3.5631 1.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0461 -3.8226 -0.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6617 -4.7330 0.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5033 2.5156 -1.9663 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0285 2.0684 2.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4346 -1.7542 -0.9394 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7539 2.1692 0.4049 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 16 1 0 0 0 0 4 18 2 0 0 0 0 5 16 2 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 19 1 0 0 0 0 7 10 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 14 1 0 0 0 0 12 15 2 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 17 2 0 0 0 0 14 30 1 0 0 0 0 15 17 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 18 33 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

1-[2-(2,4-dichlorophenyl)pentyl]-1,2,4-triazole

4.2 InChI

InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3

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)