CAS No.: 83657-22-1 — Uniconazole (烯效唑)

1. Primary Information

English name:	Uniconazole
CAS No.:	83657-22-1
Molecular formula:	C₁₅H₁₈ClN₃O
Molecular weight:	291.77 g/mol
SMILES:	CC(C)(C)C(C(=CC1=CC=C(C=C1)Cl)N2C=NC=N2)O
Structural class:
Other identifiers:	beta-((4-chlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol uniconazole

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	HPLC≥98%	120	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in cyclohexane:acetone(4:1)	152	2-8℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in cyclohexane:acetone(4:1)	312	2-8℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in n-hexane	312	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in n-hexane	152	2-8℃	in stock	-
Kehua Intelligence	5g	AR，98%	76	2-8℃	in stock	-
Kehua Intelligence	25g	AR，98%	192	2-8℃	in stock	-
Kehua Intelligence	100g	AR，98%	512	2-8℃	in stock	-
Kehua Intelligence	500g	AR，98%	1792	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 38 39 0 1 0 0 0 0 0999 V2000 6.0261 -0.2217 0.0465 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0255 -1.1172 1.9626 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1863 0.9587 0.0636 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1693 0.5154 0.8204 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8343 2.1274 -0.6601 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3119 -2.0655 -0.2924 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6138 -0.9735 0.5941 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0637 -3.4627 0.3209 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7371 -2.0737 -1.7219 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8367 -1.8574 -0.3751 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8403 0.4897 0.1487 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2476 1.2482 -0.1387 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6725 0.8853 -0.0925 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5498 1.9024 -0.8114 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3686 1.0078 1.1004 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2958 0.4270 -1.2435 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1673 1.2614 0.3418 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7197 0.6640 1.1437 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6470 0.0830 -1.2004 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3589 0.2015 -0.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4530 -1.2181 0.6043 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4790 -4.2559 -0.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -3.6575 0.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5265 -3.5577 1.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1942 -2.8626 -2.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3444 -2.2484 -1.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9163 -1.1214 -2.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3180 -1.8148 0.6047 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2823 -2.7458 -0.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1321 -1.0523 -1.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1093 2.2864 -0.4375 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9612 -0.8659 2.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9125 2.3912 -1.5363 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8818 1.3667 2.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7516 0.3301 -2.1793 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1687 1.1705 0.7353 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2619 0.7615 2.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1319 -0.2761 -2.1045 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 7 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 3 14 1 0 0 0 0 4 17 2 0 0 0 0 5 14 2 0 0 0 0 5 17 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 10 1 0 0 0 0 7 11 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 8 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 33 1 0 0 0 0 15 18 1 0 0 0 0 15 34 1 0 0 0 0 16 19 2 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 18 20 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol

4.2 InChI

InChI=1S/C15H18ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-10,14,20H,1-3H3/b13-8+

4.3 InChIKey

YNWVFADWVLCOPU-MDWZMJQESA-N

4.4 Canonical SMILES

CC(C)(C)C(C(=CC1=CC=C(C=C1)Cl)N2C=NC=N2)O

4.5 Isomeric SMILES

CC(C)(C)C(/C(=C\C1=CC=C(C=C1)Cl)/N2C=NC=N2)O

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)