CAS No.: 120068-37-3 — Fipronil (锐劲特)

1. Primary Information

English name:	Fipronil
CAS No.:	120068-37-3
Molecular formula:	C₁₂H₄Cl₂F₆N₄OS
Molecular weight:	437.1 g/mol
SMILES:	C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F
Structural class:
Other identifiers:	5-amino-1-(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyl)-4-trifluoromethylsulfinylpyrazole-3-carbonitile fipronil

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	250mg	HPLC≥98%	304	2-8℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in acetone	208	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in acetone	80	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	152	2-8℃	in stock	-
Kehua Intelligence	1ml	1000μg/ml in ethyl acetate	208	2-8℃	in stock	-
Kehua Intelligence	1ml	100μg/ml in ethyl acetate	80	2-8℃	in stock	-
Kehua Intelligence	5g	98%	48	2-8℃	in stock	-
Kehua Intelligence	25g	98%	152	2-8℃	in stock	-
Kehua Intelligence	100g	98%	560	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 30 31 0 1 0 0 0 0 0999 V2000 -0.7085 -1.0266 -2.3309 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2878 1.6942 2.3796 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0127 -0.1727 0.9346 S 0 0 1 0 0 0 0 0 0 0 0 0 -5.7414 -1.0947 -1.1876 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.8026 -1.0829 0.9804 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.0570 0.7743 -0.1217 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0299 -1.6380 -1.2663 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1393 -2.6093 0.4645 F 0 0 0 0 0 0 0 0 0 0 0 0 5.3085 -2.3707 0.3375 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0665 0.7302 0.3205 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2582 0.5417 0.0593 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7671 1.6482 -0.5173 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8883 -1.4081 1.2631 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6290 3.4128 -1.1858 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1116 0.3149 0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2096 -0.2549 0.6362 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4126 0.3722 0.4216 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0791 1.5384 -0.2931 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6717 -0.3996 -1.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9276 0.8018 1.0431 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8631 -0.1400 -0.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0474 -0.6270 -1.0754 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3034 0.5746 1.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3340 -0.3831 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1249 -1.7633 0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9303 2.5676 -0.7833 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4815 -1.1843 -1.9022 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9461 0.9513 1.7975 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5931 -1.9957 1.6974 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0651 -1.7478 1.3406 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 20 1 0 0 0 0 3 10 2 0 0 0 0 3 17 1 0 0 0 0 3 25 1 0 0 0 0 4 24 1 0 0 0 0 5 24 1 0 0 0 0 6 24 1 0 0 0 0 7 25 1 0 0 0 0 8 25 1 0 0 0 0 9 25 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 12 18 2 0 0 0 0 13 16 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 26 3 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 26 1 0 0 0 0 19 22 1 0 0 0 0 20 23 2 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 22 27 1 0 0 0 0 23 28 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile

4.2 InChI

InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2

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)