CAS No.: 18181-70-9 — Iodofenphos (碘硫磷)

1. Primary Information

English name:	Iodofenphos
CAS No.:	18181-70-9
Molecular formula:	C₈H₈Cl₂IO₃PS
Molecular weight:	413.00 g/mol
SMILES:	COP(=S)(OC)OC1=CC(=C(C=C1Cl)I)Cl
Structural class:
Other identifiers:	Alfacron CIBA-C-9491 iodofenphos O,O-dimethyl-O-(2,5-dichloro-4-iodophenyl)thiophosphate O-(2,5-dichloro-4-iodophenyl) O,O-dimethyl phosphorothioate

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	100μg/ml in ethyl acetate	80	-20℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 24 24 0 0 0 0 0 0 0999 V2000 -5.0929 0.2094 -0.2210 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.6007 -3.2002 0.2559 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.6277 2.6963 -0.0707 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1658 0.7035 -2.1364 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2421 0.2553 -0.2398 P 0 0 0 0 0 0 0 0 0 0 0 0 1.0676 -0.7019 0.3371 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5700 -0.5520 0.2473 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2253 1.4897 0.8201 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2807 -0.4997 0.2149 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1660 -1.5726 0.1653 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7535 0.8076 0.1405 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1226 1.0436 0.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5351 -1.3367 0.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0133 -0.0286 -0.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7897 -1.8811 -0.1949 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1319 2.5675 0.6603 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0824 1.6575 0.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2209 -2.1807 0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7139 -2.2498 0.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8938 -1.9060 -1.2821 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9633 -2.5250 0.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1718 3.1308 1.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7834 3.2295 -0.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1331 2.1948 0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 10 1 0 0 0 0 3 12 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 9 1 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 10 13 2 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 14 2 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 15 21 1 0 0 0 0 16 22 1 0 0 0 0 16 23 1 0 0 0 0 16 24 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(2,5-dichloro-4-iodophenoxy)-dimethoxy-sulfanylidene-λ5-phosphane

4.2 InChI

InChI=1S/C8H8Cl2IO3PS/c1-12-15(16,13-2)14-8-4-5(9)7(11)3-6(8)10/h3-4H,1-2H3

4.3 InChIKey

LFVLUOAHQIVABZ-UHFFFAOYSA-N

4.4 Canonical SMILES

COP(=S)(OC)OC1=CC(=C(C=C1Cl)I)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)