CAS No.: 120068-36-2 — Fipronil sulfone (氟虫腈砜)

1. Primary Information

English name:	Fipronil sulfone
CAS No.:	120068-36-2
Molecular formula:	C₁₂H₄Cl₂F₆N₄O₂S
Molecular weight:	453.1 g/mol
SMILES:	C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)(=O)C(F)(F)F)N)Cl)C(F)(F)F
Structural class:
Other identifiers:	fipronil sulfone fipronil sulphone

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1ml	100μg/ml in acetone	152	-20℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	152	-20℃	in stock	-
Kehua Intelligence	50mg	98%	2480	-20℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 31 32 0 0 0 0 0 0 0999 V2000 -0.9364 1.3579 -2.1979 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4629 -1.9163 2.1523 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7399 0.2046 0.9364 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5500 1.8444 0.0604 F 0 0 0 0 0 0 0 0 0 0 0 0 4.4281 0.8281 -1.5084 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4901 2.4304 -0.3644 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.9709 1.1870 -1.0696 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.2690 -0.7915 -0.2326 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.0104 0.9168 1.0878 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5158 0.9199 2.1901 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6211 -0.9604 0.8977 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0606 -0.4630 -0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5947 -1.4807 -0.7125 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 1.3413 1.4229 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -3.0866 -1.5753 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2105 -0.2912 0.3792 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9936 0.2790 0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3138 -0.2625 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9038 -1.3700 -0.4715 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3254 1.3675 -0.2692 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8876 0.5620 -0.9919 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1199 -0.8848 0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0740 0.1416 -0.0537 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2677 0.7639 -1.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5000 -0.6828 0.9142 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5494 0.3580 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7803 -2.3126 -1.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7128 1.4071 -1.7622 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1352 -1.1645 1.6543 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3427 1.8908 1.9193 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3122 1.6492 1.5396 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 22 1 0 0 0 0 3 10 2 0 0 0 0 3 11 2 0 0 0 0 3 16 1 0 0 0 0 3 20 1 0 0 0 0 4 20 1 0 0 0 0 5 20 1 0 0 0 0 6 20 1 0 0 0 0 7 26 1 0 0 0 0 8 26 1 0 0 0 0 9 26 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 13 19 2 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 27 3 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 27 1 0 0 0 0 21 24 1 0 0 0 0 22 25 2 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 24 28 1 0 0 0 0 25 29 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

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

4.2 InChI

InChI=1S/C12H4Cl2F6N4O2S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)27(25,26)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)