CAS No.: 57018-04-9 — Tolclofos-methyl (-)

1. Primary Information

English name:	Tolclofos-methyl
CAS No.:	57018-04-9
Molecular formula:	C₉H₁₁Cl₂O₃PS
Molecular weight:	301.13 g/mol
SMILES:	CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl
Structural class:
Other identifiers:	(O,O-dimethyl O-(2,6-dichloro-4-methylphenyl)phosphorothioate) tolclofos-methyl

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1ml	1000μg/ml in acetone	208	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in n-hexane	80	2-8℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in n-hexane	208	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	64	-20℃，避光	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol	166	-20℃，避光	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 27 27 0 0 0 0 0 0 0999 V2000 -0.5031 -2.8081 -0.1029 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2870 2.5050 1.0367 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.9905 -1.1606 -1.9229 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0393 -0.0865 -0.2958 P 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -0.2576 0.7353 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3064 -0.3504 0.6927 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1152 1.5295 -0.4701 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5304 -0.1391 0.4356 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2380 0.1018 -0.1767 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2527 -1.2593 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1569 1.1012 0.5361 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6081 -1.1386 -0.2764 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5124 1.2217 0.2295 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6877 0.2306 -0.5023 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4275 -1.5907 1.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0974 2.1010 -1.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1774 -2.0103 -0.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0074 2.1872 0.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2905 0.0652 0.3962 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9166 1.2249 -0.9005 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9878 -0.4960 -1.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3215 -1.5591 1.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5302 -2.4058 0.6484 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5553 -1.7622 2.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1796 3.1659 -1.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7965 1.9885 -2.3619 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0684 1.6265 -1.1528 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 11 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 6 15 1 0 0 0 0 7 16 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 11 13 2 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 15 24 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(2,6-dichloro-4-methylphenoxy)-dimethoxy-sulfanylidene-λ5-phosphane

4.2 InChI

InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3

4.3 InChIKey

OBZIQQJJIKNWNO-UHFFFAOYSA-N

4.4 Canonical SMILES

CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)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)