CAS No.: 96489-71-3 — Pyridaben (-)

1. Primary Information

English name:	Pyridaben
CAS No.:	96489-71-3
Molecular formula:	C₁₉H₂₅ClN₂OS
Molecular weight:	364.9 g/mol
SMILES:	CC(C)(C)C1=CC=C(C=C1)CSC2=C(C(=O)N(N=C2)C(C)(C)C)Cl
Structural class:
Other identifiers:	2-tert-butyl-5-(4-tert-butyl-benzylthio)-4-chloropyridazin-3(2H)-one pyridaben

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	HPLC≥99%	160	2-8℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in acetone	208	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	80	2-8℃	in stock	-
Kehua Intelligence	1ml	1000μg/ml in methanol	208	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in acetone	64	-20℃，避光	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	64	2-8℃，避光	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol	166	2-8℃，避光	in stock	-
Kehua Intelligence	250mg	99%	179	2-8℃	in stock	-
Kehua Intelligence	1g	99%	358	2-8℃	in stock	-
Kehua Intelligence	5g	98%	240	2-8℃	in stock	-
Kehua Intelligence	25g	98%	520	2-8℃	in stock	-
Kehua Intelligence	100g	98%	1600	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 49 50 0 0 0 0 0 0 0999 V2000 1.8999 2.7800 0.3243 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0905 0.1405 1.1988 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6041 1.9397 -0.3352 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4085 -0.3371 0.0271 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6533 -1.4156 0.3883 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4572 -0.1304 -0.0307 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7821 -0.6500 -0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9691 -0.1179 -0.1289 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1033 -1.5373 0.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9535 0.7513 1.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1148 0.4221 -1.3333 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0472 -0.2183 -1.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0031 -2.1598 -0.1833 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7291 0.1025 0.6189 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2936 1.0856 -0.3307 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2529 -1.3099 -0.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1982 -0.0950 -0.3125 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9018 1.0971 -0.4231 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8612 -1.2984 -0.1115 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9225 0.9665 -0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6976 -0.0823 -0.4118 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7468 0.1074 0.7282 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4927 1.1559 0.3734 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4234 -1.1967 0.7102 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1960 -1.4646 0.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8742 -2.2229 -0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7593 -1.9903 1.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6699 1.8022 1.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0455 0.7200 1.2479 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5266 0.4032 2.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2088 0.3870 -1.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8350 1.4643 -1.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8060 -0.1667 -2.2051 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0241 0.8656 -1.9131 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3086 -0.6550 -2.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0380 -0.5545 -2.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3596 -2.7404 -0.8557 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8449 -2.5122 0.8433 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0368 -2.4193 -0.4437 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7669 -0.2112 0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4853 -0.1020 1.6682 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7078 1.1874 0.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8260 2.0282 -0.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7268 -2.2725 0.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3855 2.0402 -0.5793 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3126 -2.2322 -0.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3501 -1.0203 -0.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3808 0.7185 -1.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8123 -2.0675 1.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 20 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 20 1 0 0 0 0 5 24 2 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 6 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 15 2 0 0 0 0 8 16 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 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 18 1 0 0 0 0 15 43 1 0 0 0 0 16 19 2 0 0 0 0 16 44 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 20 23 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 49 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-tert-butyl-5-[(4-tert-butylphenyl)methylsulfanyl]-4-chloropyridazin-3-one

4.2 InChI

InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3

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)