CAS No.: 7082-99-7 — p-Chlorobenzyl-p-chlorophenyl sulfone (氯杀螨砜)

1. Primary Information

English name:	p-Chlorobenzyl-p-chlorophenyl sulfone
CAS No.:	7082-99-7
Molecular formula:	C₁₃H₁₀Cl₂O₂S
Molecular weight:	301.2 g/mol
SMILES:	C1=CC(=CC=C1CS(=O)(=O)C2=CC=C(C=C2)Cl)Cl
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	100μg/ml in methylbenzene	728	RT	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol	2080	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 28 29 0 0 0 0 0 0 0999 V2000 -6.3988 0.0020 0.7220 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.4184 -0.0015 -0.1613 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3132 -0.0010 -0.7306 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0382 -1.2615 -1.3992 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0107 1.2574 -1.3915 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4994 0.0014 0.8348 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0337 0.0000 -0.3218 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9704 0.0008 0.5881 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6901 1.2081 -0.1678 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6899 -1.2078 -0.1623 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6584 1.2084 0.4708 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6578 -1.2076 0.4738 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0468 1.2088 0.1562 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0467 -1.2073 0.1616 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0339 1.2077 0.2391 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0334 -1.2084 0.2422 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7252 0.0011 0.3209 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7215 -0.0007 0.1249 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1875 0.8904 1.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1870 -0.8856 1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1772 2.1578 -0.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1774 -2.1583 -0.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 2.1569 0.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1337 -2.1554 0.5636 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5622 2.1578 0.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5620 -2.1559 0.2889 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5571 2.1564 0.1498 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5560 -2.1575 0.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 18 1 0 0 0 0 3 4 2 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 6 8 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 9 21 1 0 0 0 0 10 14 2 0 0 0 0 10 22 1 0 0 0 0 11 15 1 0 0 0 0 11 23 1 0 0 0 0 12 16 2 0 0 0 0 12 24 1 0 0 0 0 13 17 2 0 0 0 0 13 25 1 0 0 0 0 14 17 1 0 0 0 0 14 26 1 0 0 0 0 15 18 2 0 0 0 0 15 27 1 0 0 0 0 16 18 1 0 0 0 0 16 28 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

1-chloro-4-[(4-chlorophenyl)sulfonylmethyl]benzene

4.2 InChI

InChI=1S/C13H10Cl2O2S/c14-11-3-1-10(2-4-11)9-18(16,17)13-7-5-12(15)6-8-13/h1-8H,9H2

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)