CAS No.: 41198-08-7 — Profenofos (丙溴磷)

1. Primary Information

English name:	Profenofos
CAS No.:	41198-08-7
Molecular formula:	C₁₁H₁₅BRClO₃PS
Molecular weight:	373.63 g/mol
SMILES:	CCCSP(=O)(OCC)OC1=C(C=C(C=C1)Br)Cl
Structural class:
Other identifiers:	Curacron profenofos Selecron

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	100μg/ml in acetone	80	-20℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in acetone	256	-20℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol	208	-20℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 33 33 0 1 0 0 0 0 0999 V2000 -5.8775 -0.7625 -0.7999 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.2007 2.4512 1.8018 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8716 1.1171 0.3216 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1382 0.2030 -0.4445 P 0 0 2 0 0 0 0 0 0 0 0 0 -0.1585 0.8798 0.2539 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 -1.3455 0.0474 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1209 0.3312 -1.9462 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2486 0.2296 -0.4335 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5788 0.8011 0.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7504 0.0589 -0.5817 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4615 0.5236 0.0309 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0834 -1.6540 1.4305 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5052 1.1723 0.6847 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7247 -0.5057 -0.8685 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0182 -3.1568 1.6009 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8231 0.7885 0.4372 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0428 -0.8894 -1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0920 -0.2424 -0.4632 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1650 0.3125 -1.5219 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1691 -0.8298 -0.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6550 1.8634 -0.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6577 0.7249 1.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7277 0.1397 -1.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6973 0.4799 -0.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7303 -1.0025 -0.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9999 -1.2728 1.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2243 -1.1846 1.9184 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9517 -1.0407 -1.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0233 -3.4308 2.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1113 -3.5578 1.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8687 -3.6381 1.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6409 1.2938 0.9466 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2359 -1.6939 -1.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 2 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 16 1 0 0 0 0 14 17 2 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 18 2 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4-bromo-2-chloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene

4.2 InChI

InChI=1S/C11H15BrClO3PS/c1-3-7-18-17(14,15-4-2)16-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3

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)