CAS No.: 2310-17-0 — Phosalone (甲醇中伏杀硫磷)

1. Primary Information

English name:	Phosalone
CAS No.:	2310-17-0
Molecular formula:	C₁₂H₁₅ClNO₄PS₂
Molecular weight:	367.8 g/mol
SMILES:	CCOP(=S)(OCC)SCN1C2=C(C=C(C=C2)Cl)OC1=O
Structural class:
Other identifiers:	fosalon fozalone phoazlone phosalone phozalone

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	100μg/ml in methanol	38	-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 36 37 0 0 0 0 0 0 0999 V2000 6.0954 -1.5119 -0.4078 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 0.1516 -1.1058 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.4034 -1.2072 -2.0940 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.2511 -0.5859 -0.6324 P 0 0 0 0 0 0 0 0 0 0 0 0 2.6401 2.2983 0.0357 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9788 0.5520 0.2893 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0591 -1.7248 0.5253 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5390 3.2096 0.3157 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8374 0.8878 0.2956 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9641 0.0997 0.1476 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 0.3879 0.4819 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0264 0.9670 -0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2485 2.2148 0.2275 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1234 -1.2703 0.1371 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3156 0.5095 -0.1794 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4215 -1.7572 -0.0376 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5086 -0.8749 -0.1946 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3673 1.7927 -0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4451 -2.9651 0.2162 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0109 2.6446 0.7962 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3999 -3.8181 1.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4768 -0.5425 1.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0652 1.1285 1.0486 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2910 -1.9536 0.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1413 1.2025 -0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5820 -2.8330 -0.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4878 2.3022 -0.6811 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0812 1.6245 -1.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0192 -3.4817 -0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4310 -2.7910 -0.1548 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3227 3.6120 0.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8858 2.1384 1.2173 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3130 2.8147 1.6228 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9313 -4.7851 1.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8366 -3.3119 2.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4098 -3.9887 1.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 4 1 0 0 0 0 2 11 1 0 0 0 0 3 4 2 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 8 13 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 15 1 0 0 0 0 14 16 2 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 18 20 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 19 21 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

6-chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one

4.2 InChI

InChI=1S/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3

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)