CAS No.: 80-38-6 — Fenson (除螨酯)

1. Primary Information

English name:	Fenson
CAS No.:	80-38-6
Molecular formula:	C₁₂H₉ClO₃S
Molecular weight:	268.72 g/mol
SMILES:	C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)Cl
Structural class:
Other identifiers:	4-chlorophenyl benzenesulfonate fenson p-chlorophenyl benzenesulfonate

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	100μg/ml in methylbenzene	80	2-8℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methylbenzene	248	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in n-hexane	80	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 26 27 0 0 0 0 0 0 0999 V2000 6.0721 0.0499 0.1205 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7624 -0.3795 -0.8038 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2082 0.1843 0.3907 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 -1.8206 -0.8904 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5914 0.4751 -1.9640 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4006 -0.0949 -0.2057 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5674 0.1532 0.3279 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0265 1.1061 -0.4932 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0287 -1.0779 0.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3195 1.3310 -0.0206 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3218 -0.8529 1.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2318 -1.0662 0.1977 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2960 1.3408 0.3939 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9670 0.3516 0.7321 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6248 -1.0982 0.1335 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6891 1.3090 0.3297 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3535 0.0894 0.1995 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5371 1.8848 -1.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5416 -2.0185 0.7779 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8214 2.2696 -0.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8254 -1.6145 1.6005 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6870 -2.0044 0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7835 2.2936 0.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9734 0.5271 1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1294 -2.0562 0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2438 2.2424 0.3823 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 12 2 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 18 1 0 0 0 0 9 11 2 0 0 0 0 9 19 1 0 0 0 0 10 14 2 0 0 0 0 10 20 1 0 0 0 0 11 14 1 0 0 0 0 11 21 1 0 0 0 0 12 15 1 0 0 0 0 12 22 1 0 0 0 0 13 16 2 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 15 17 2 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(4-chlorophenyl) benzenesulfonate

4.2 InChI

InChI=1S/C12H9ClO3S/c13-10-6-8-11(9-7-10)16-17(14,15)12-4-2-1-3-5-12/h1-9H

4.3 InChIKey

SPJOZZSIXXJYBT-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)Cl

4.5 Isomeric SMILES

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

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)