CAS No.: 60207-90-1 — Propiconazole (-)

1. Primary Information

English name:	Propiconazole
CAS No.:	60207-90-1
Molecular formula:	C₁₅H₁₇Cl₂N₃O₂
Molecular weight:	342.2 g/mol
SMILES:	CCCC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl
Structural class:
Other identifiers:	1-((2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole propiconazole

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	250mg	GC≥98%	640	2-8℃,避光	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methylbenzene	80	2-8℃,避光	in stock	-
Kehua Intelligence	1ml	1000μg/ml in methylbenzene	208	2-8℃,避光	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	80	2-8℃,避光	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol	208	2-8℃,避光	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in acetone	80	2-8℃,避光	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in acetone	208	2-8℃,避光	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 39 41 0 1 0 0 0 0 0999 V2000 1.2260 -1.4973 -1.8895 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.0990 0.0060 -0.1679 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5655 -0.7597 -0.1488 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2742 0.8043 1.5707 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8589 1.7470 -0.6163 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3729 2.6064 0.2637 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9918 1.5529 -0.9620 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0944 0.4694 0.2174 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0227 -1.3151 1.0860 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3355 -0.0901 1.9055 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2126 -2.2212 0.8539 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4155 1.5699 -0.7124 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6046 0.3302 0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8288 -3.4652 0.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1909 -0.5357 -0.8297 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4130 1.0953 0.9391 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0300 -4.3604 -0.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5799 -0.6361 -0.9113 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8017 0.9948 0.8574 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8111 1.1228 -1.3418 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3853 0.1292 -0.0678 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6753 2.4525 0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1874 -1.8698 1.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2994 0.3571 1.6563 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3237 -0.2924 2.9804 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9926 -1.6784 0.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6387 -2.5264 1.8171 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2014 1.3456 -1.7644 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0352 2.5418 -0.4753 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0641 -4.0352 0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3954 -3.1740 -0.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9873 1.7876 1.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4745 -4.7014 0.7323 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7985 -3.8301 -0.7795 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7289 -5.2429 -0.7813 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0367 -1.3107 -1.6324 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4171 1.5992 1.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6097 0.3874 -2.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4170 3.0131 0.5645 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 21 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 5 20 1 0 0 0 0 6 22 2 0 0 0 0 7 20 2 0 0 0 0 7 22 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 23 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 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 18 1 0 0 0 0 16 19 2 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 21 2 0 0 0 0 18 36 1 0 0 0 0 19 21 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 22 39 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole

4.2 InChI

InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5-4-11(16)6-14(13)17/h4-6,9-10,12H,2-3,7-8H2,1H3

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)