CAS No.: 67628-93-7 — Dimethylvinphos (敌敌钙(Z型))

1. Primary Information

English name:	Dimethylvinphos
CAS No.:	67628-93-7
Molecular formula:	C₁₀H₁₀Cl₃O₄P
Molecular weight:	331.5 g/mol
SMILES:	COP(=O)(OC)OC(=CCl)C1=C(C=C(C=C1)Cl)Cl
Structural class:
Other identifiers:	dimethylvinphos

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	100μg/ml in methylbenzene	152	2-8℃	in stock	-
Kehua Intelligence	1ml	1000μg/ml in methylbenzene	464	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 28 28 0 0 0 0 0 0 0999 V2000 -1.3155 2.1533 -1.9506 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.7399 -1.4505 0.0950 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2408 3.2421 1.2158 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5789 -0.8887 -0.5729 P 0 0 0 0 0 0 0 0 0 0 0 0 1.5354 0.7074 -0.3039 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0274 -1.1086 -1.2645 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7784 -1.5110 0.9097 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4134 -1.4372 -1.3457 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7751 0.6567 0.2748 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5396 1.3180 0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6669 0.9711 -0.7385 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0839 -0.2961 1.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8976 0.3173 -0.7947 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3147 -0.9499 1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2216 -0.6433 0.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7277 2.4438 1.0827 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1761 -0.6185 -0.5952 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9976 -2.9058 1.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3989 -0.5360 2.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6068 0.5544 -1.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5549 -1.6936 1.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 2.9561 1.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0589 -0.8914 -1.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2668 -1.0592 0.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1321 0.4708 -0.5181 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8925 -3.2023 0.4788 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1296 -3.4501 0.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1342 -3.1479 2.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 15 1 0 0 0 0 3 16 1 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 4 8 2 0 0 0 0 5 10 1 0 0 0 0 6 17 1 0 0 0 0 7 18 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 16 2 0 0 0 0 11 13 1 0 0 0 0 12 14 2 0 0 0 0 12 19 1 0 0 0 0 13 15 2 0 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 14 21 1 0 0 0 0 16 22 1 0 0 0 0 17 23 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 18 26 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

[(Z)-2-chloro-1-(2,4-dichlorophenyl)ethenyl] dimethyl phosphate

4.2 InChI

InChI=1S/C10H10Cl3O4P/c1-15-18(14,16-2)17-10(6-11)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3/b10-6-

4.3 InChIKey

QSGNQELHULIMSJ-POHAHGRESA-N

4.4 Canonical SMILES

COP(=O)(OC)OC(=CCl)C1=C(C=C(C=C1)Cl)Cl

4.5 Isomeric SMILES

COP(=O)(OC)O/C(=C\Cl)/C1=C(C=C(C=C1)Cl)Cl

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)