CAS No.: 2083629-84-7 — Chlorpyrifos-methyl (甲基毒死蜱-D6)

1. Primary Information

English name:	Chlorpyrifos-methyl
CAS No.:	2083629-84-7
Molecular formula:	C₇H₇Cl₃NO₃PS
Molecular weight:	322.5 g/mol
SMILES:	COP(=S)(OC)OC1=NC(=C(C=C1Cl)Cl)Cl
Structural class:
Other identifiers:	chlorpyrifos-methyl Dowco 214 Reldan

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1ml	100ug/ml	1760	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 23 23 0 0 0 0 0 0 0999 V2000 -0.7117 3.2406 0.3205 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.6799 -0.3739 0.0444 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.3806 -2.6591 -0.3292 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3058 -1.1837 -1.9544 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1974 -0.2799 -0.2296 P 0 0 0 0 0 0 0 0 0 0 0 0 1.0171 0.8165 -0.0473 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9346 -1.2386 1.0604 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5088 0.5478 0.2630 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6929 -0.7277 -0.1644 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3285 0.5672 -0.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2274 1.6099 0.1423 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5839 1.3049 0.1614 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9960 -0.0153 0.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0198 -0.9857 -0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7717 -2.3600 1.2883 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8850 1.7370 -0.4104 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3187 2.0969 0.2885 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6491 -2.6807 2.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8196 -2.0974 1.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4794 -3.1804 0.6283 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1078 1.5231 -1.4585 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7815 2.1398 0.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0843 2.4776 -0.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 13 1 0 0 0 0 3 14 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 10 1 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 2 0 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 16 22 1 0 0 0 0 16 23 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

dimethoxy-sulfanylidene-(3,5,6-trichloropyridin-2-yl)oxy-λ5-phosphane

4.2 InChI

InChI=1S/C7H7Cl3NO3PS/c1-12-15(16,13-2)14-7-5(9)3-4(8)6(10)11-7/h3H,1-2H3

4.3 InChIKey

HRBKVYFZANMGRE-UHFFFAOYSA-N

4.4 Canonical SMILES

COP(=S)(OC)OC1=NC(=C(C=C1Cl)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)