CAS No.: 42874-03-3 — Oxyfluorfen (乙氧氟草醚)

1. Primary Information

English name:	Oxyfluorfen
CAS No.:	42874-03-3
Molecular formula:	C₁₅H₁₁ClF₃NO₄
Molecular weight:	361.70 g/mol
SMILES:	CCOC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]
Structural class:
Other identifiers:	oxyfluorfen oxyfluorofen RH-2915

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	1000μg/ml in methanol	416	2-8℃	in stock	-
Kehua Intelligence	1ml	100μg/ml in methanol	152	2-8℃	in stock	-
Kehua Intelligence	100mg	99%	672	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 35 36 0 0 0 0 0 0 0999 V2000 1.9110 2.0355 2.6388 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8314 -1.5376 -1.7356 F 0 0 0 0 0 0 0 0 0 0 0 0 5.9130 -0.3121 -0.3099 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7896 -2.0417 0.3793 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1413 2.2068 0.2148 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7687 -1.4739 1.0311 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6736 0.3403 -1.1852 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.0245 -1.3688 0.0299 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8089 -0.2516 -0.4966 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0864 1.5923 0.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5509 -0.2594 0.4513 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2585 1.4399 0.0663 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3132 0.3596 0.6266 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5415 0.3647 -0.3072 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5273 -0.1428 -0.2944 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0568 2.2262 -0.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2944 1.6074 -0.8903 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 1.2743 1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4845 0.8141 -1.1597 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3012 0.4829 0.9316 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6189 0.0229 -1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9062 -2.5405 0.6425 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7399 -0.9889 -0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6581 -3.8495 0.7573 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5588 -0.1213 1.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8652 3.1936 -1.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0400 2.1254 -1.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7937 0.9407 -1.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0130 0.3497 1.7432 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7789 -0.4544 -2.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5608 -2.4121 -0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0355 -2.5536 1.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0139 -4.6936 0.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0320 -3.9924 1.7764 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5293 -3.8550 0.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 23 1 0 0 0 0 3 23 1 0 0 0 0 4 23 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 6 11 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 8 9 2 0 0 0 0 9 14 1 0 0 0 0 10 13 2 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 11 14 2 0 0 0 0 12 18 2 0 0 0 0 12 19 1 0 0 0 0 13 25 1 0 0 0 0 14 17 1 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 15 23 1 0 0 0 0 16 17 2 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 18 20 1 0 0 0 0 19 21 2 0 0 0 0 19 28 1 0 0 0 0 20 29 1 0 0 0 0 21 30 1 0 0 0 0 22 24 1 0 0 0 0 22 31 1 0 0 0 0 22 32 1 0 0 0 0 24 33 1 0 0 0 0 24 34 1 0 0 0 0 24 35 1 0 0 0 0 M CHG 2 7 -1 9 1

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene

4.2 InChI

InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3

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)