CAS No.: 103-17-3 — Chlorbenside (氯杀螨)

1. Primary Information

English name:	Chlorbenside
CAS No.:	103-17-3
Molecular formula:	C₁₃H₁₀Cl₂S
Molecular weight:	269.2 g/mol
SMILES:	C1=CC(=CC=C1CSC2=CC=C(C=C2)Cl)Cl
Structural class:
Other identifiers:	chlorbenside Mitox

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	100μg/ml in methylbenzene	88	2-8℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methylbenzene	184	2-8℃	in stock	-
Kehua Intelligence	10mg	99%	200	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 6.4681 0.0002 0.1453 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.3814 -0.0001 -0.7431 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3691 0.0001 1.1147 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9823 -0.0002 -0.3282 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4989 -0.0002 -0.4836 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0782 0.0000 0.5867 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6759 -1.2081 -0.2553 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6758 1.2079 -0.2548 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0630 -1.2081 -0.1089 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0630 1.2081 -0.1085 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7381 -1.2079 0.3831 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7382 1.2081 0.3823 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7567 0.0001 -0.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0707 -1.2080 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0708 1.2081 -0.0297 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7372 0.0000 -0.2353 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1828 -0.8772 -1.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1828 0.8765 -1.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1476 -2.1563 -0.3101 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1472 2.1560 -0.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5904 -2.1569 -0.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5902 2.1570 -0.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2341 -2.1584 0.5386 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2340 2.1587 0.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5774 -2.1569 -0.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5775 2.1570 -0.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 16 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 7 2 0 0 0 0 4 8 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 11 2 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 19 1 0 0 0 0 8 10 2 0 0 0 0 8 20 1 0 0 0 0 9 13 2 0 0 0 0 9 21 1 0 0 0 0 10 13 1 0 0 0 0 10 22 1 0 0 0 0 11 14 1 0 0 0 0 11 23 1 0 0 0 0 12 15 2 0 0 0 0 12 24 1 0 0 0 0 14 16 2 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

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

4.2 InChI

InChI=1S/C13H10Cl2S/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8H,9H2

4.3 InChIKey

ZHLKXBJTJHRTTE-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC(=CC=C1CSC2=CC=C(C=C2)Cl)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)