CAS No.: 14816-20-7 — 2-chloro-N-diethoxyphosphinothioyloxybenzenecarboximidoyl cyanide (氯辛硫磷)

1. Primary Information

English name:	2-chloro-N-diethoxyphosphinothioyloxybenzenecarboximidoyl cyanide
CAS No.:	14816-20-7
Molecular formula:	C₁₂H₁₄ClN₂O₃PS
Molecular weight:	332.74 g/mol
SMILES:	CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1Cl
Structural class:
Other identifiers:	Bay 78182 chlorphoxim o-chlorophenylglyoxylonitrile oxime O,O-diethyl phosphorothioate

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	10mg	97%	704	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 34 34 0 0 0 0 0 0 0999 V2000 -1.7133 -2.3713 -0.4585 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4564 -0.5518 2.8331 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 -0.1133 0.9382 P 0 0 0 0 0 0 0 0 0 0 0 0 2.4369 -1.3534 -0.1128 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6007 0.8474 0.4223 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0765 0.7033 0.4456 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0850 -0.0724 0.5074 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4590 3.0120 -0.5780 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6106 -2.1410 -0.2234 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5776 1.3889 -0.8878 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5279 0.1886 0.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3856 -3.2179 -1.2633 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8149 2.2367 -1.0929 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8914 -1.1282 -0.2363 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4958 1.1712 0.1934 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1201 0.5932 0.1124 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2419 -1.4679 -0.3173 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8462 0.8314 0.1125 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2192 -0.4882 -0.1428 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7533 1.9325 -0.2701 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 -1.5086 -0.5148 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8342 -2.6000 0.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5484 0.5790 -1.6223 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6853 2.0093 -1.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2728 -3.8479 -1.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5349 -3.8493 -0.9866 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1477 -2.7714 -2.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8274 2.6741 -2.0951 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8563 3.0439 -0.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7201 1.6353 -0.9585 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2446 2.2051 0.4115 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5495 -2.4916 -0.5153 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6077 1.5931 0.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2708 -0.7528 -0.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 7 16 2 3 0 0 0 8 20 3 0 0 0 0 9 12 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 13 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 14 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 17 2 0 0 0 0 15 18 1 0 0 0 0 15 31 1 0 0 0 0 16 20 1 0 0 0 0 17 19 1 0 0 0 0 17 32 1 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-chloro-N-diethoxyphosphinothioyloxybenzenecarboximidoyl cyanide

4.2 InChI

InChI=1S/C12H14ClN2O3PS/c1-3-16-19(20,17-4-2)18-15-12(9-14)10-7-5-6-8-11(10)13/h5-8H,3-4H2,1-2H3

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)