CAS No.: 112281-77-3 — Tetraconazole (氟醚唑)

1. Primary Information

English name:	Tetraconazole
CAS No.:	112281-77-3
Molecular formula:	C₁₃H₁₁Cl₂F₄N₃O
Molecular weight:	372.14 g/mol
SMILES:	C1=CC(=C(C=C1Cl)Cl)C(CN2C=NC=N2)COC(C(F)F)(F)F
Structural class:
Other identifiers:	1H-1,2,4-triazole, 1-(2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl)- 2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propyl-1,1,2,2-tetrafluoroethylether tetraconazole

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	1000μg/ml in methanol	624	2-8℃	in stock	-
Kehua Intelligence	10mg	HPLC≥98%	400	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 34 35 0 1 0 0 0 0 0999 V2000 -0.8650 0.4039 2.6307 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.5515 4.8497 -0.3248 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.6641 -2.2317 -0.1046 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5702 -0.5117 -1.4588 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1563 1.1741 0.6169 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6475 -0.3760 0.2813 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0789 -0.6553 0.2446 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6863 -1.7523 -0.3566 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4883 -0.8174 -0.8604 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5206 -2.0752 0.7473 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -1.0164 -0.0449 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3143 -1.8813 -0.8446 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1239 -1.3361 -0.5619 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6146 0.4440 -0.0821 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8833 1.1647 1.0815 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6357 1.0855 -1.3205 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4148 -0.9016 -0.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1731 2.5270 1.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9255 2.4478 -1.3953 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2873 -2.4973 0.5914 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1942 3.1686 -0.2317 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3809 -0.1597 0.7128 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5967 -1.0535 -0.1555 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 -1.3973 0.9804 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3263 -1.6314 -1.9123 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0554 -2.9445 -0.7645 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3029 -2.4161 -0.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 -1.0354 -1.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4294 0.5483 -2.2419 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3828 3.0908 1.9133 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9383 2.9348 -2.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8114 -3.3069 1.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3049 -0.4553 1.7627 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4878 -0.4621 -0.3039 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 17 1 0 0 0 0 4 17 1 0 0 0 0 5 22 1 0 0 0 0 6 22 1 0 0 0 0 7 13 1 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 20 1 0 0 0 0 9 23 2 0 0 0 0 10 20 2 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 24 1 0 0 0 0 12 25 1 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 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 18 1 0 0 0 0 16 19 2 0 0 0 0 16 29 1 0 0 0 0 17 22 1 0 0 0 0 18 21 2 0 0 0 0 18 30 1 0 0 0 0 19 21 1 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 22 33 1 0 0 0 0 23 34 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,4-triazole

4.2 InChI

InChI=1S/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2

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)