CAS No.: 116-29-0 — Tetradifon (三氯杀螨砜)

1. Primary Information

English name:	Tetradifon
CAS No.:	116-29-0
Molecular formula:	C₁₂H₆Cl₄O₂S
Molecular weight:	356.0 g/mol
SMILES:	C1=CC(=CC=C1S(=O)(=O)C2=CC(=C(C=C2Cl)Cl)Cl)Cl
Structural class:
Other identifiers:	2,4,4',5-tetrachlorodiphenyl sulfone Duphar p-chlorophenyl 2,4,5-trichlorophenyl sulfone TCDS cpd tetradifon

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	1000μg/ml in methylbenzene	208	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methylbenzene	80	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in n-hexane	80	2-8℃	in stock	-
Kehua Intelligence	100mg	HPLC≥99%	198	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 25 26 0 0 0 0 0 0 0999 V2000 -0.9315 -2.6212 -1.2544 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.6220 2.5774 0.9203 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.8565 0.9926 -1.6161 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2875 1.5909 -1.4506 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 -1.0482 1.2811 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4367 -2.4820 1.0567 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1899 -0.5366 2.6398 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1446 -0.4915 0.4448 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7043 -0.3125 0.5201 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6604 -1.1816 -0.6388 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7473 0.6613 0.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1801 0.9166 0.9762 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3368 -0.9535 -0.5452 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8993 1.1369 0.2946 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8124 -0.7059 -1.2652 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4318 0.4534 -0.7985 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2884 1.5051 0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4452 -0.3652 -1.1545 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9210 0.8641 -0.6982 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3341 1.2087 1.7637 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6988 1.4360 1.8001 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9914 -1.9119 -0.9194 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2274 -1.2398 -2.1179 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6472 2.4641 0.7319 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9286 -0.8761 -1.9833 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 14 1 0 0 0 0 3 16 1 0 0 0 0 4 19 1 0 0 0 0 5 6 2 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 15 2 0 0 0 0 11 14 1 0 0 0 0 11 20 1 0 0 0 0 12 17 1 0 0 0 0 12 21 1 0 0 0 0 13 18 2 0 0 0 0 13 22 1 0 0 0 0 14 16 2 0 0 0 0 15 16 1 0 0 0 0 15 23 1 0 0 0 0 17 19 2 0 0 0 0 17 24 1 0 0 0 0 18 19 1 0 0 0 0 18 25 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

1,2,4-trichloro-5-(4-chlorophenyl)sulfonylbenzene

4.2 InChI

InChI=1S/C12H6Cl4O2S/c13-7-1-3-8(4-2-7)19(17,18)12-6-10(15)9(14)5-11(12)16/h1-6H

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)