CAS No.: 69806-34-4 — Haloxyfop (吡氟氯禾灵)

1. Primary Information

English name:	Haloxyfop
CAS No.:	69806-34-4
Molecular formula:	C₁₅H₁₁ClF₃NO₄
Molecular weight:	361.70 g/mol
SMILES:	CC(C(=O)O)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl
Structural class:
Other identifiers:	2-(4-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)propanoic acid haloxyfop haloxyfop sodium salt

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	100μg/ml in methanol	104	2-8℃	in stock	-
Kehua Intelligence	1ml	1000μg/ml in acetonitrile	160	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 35 36 0 1 0 0 0 0 0999 V2000 -3.5637 3.2593 0.6045 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.1420 -1.2663 0.1997 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.9383 -2.3982 -1.2052 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.6876 -2.7072 0.9326 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2873 0.2493 -0.7071 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8314 2.1144 0.1306 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9313 -2.2788 1.2592 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2136 -0.0295 1.1454 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4921 -0.0804 -0.1303 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5668 -1.0878 -0.2947 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0235 0.7100 -0.4999 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 1.6550 -0.0763 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2474 1.1269 -1.5815 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 0.7656 0.7936 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9522 1.5995 -1.3697 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2089 1.2381 1.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0140 -1.8718 -1.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8285 -0.6801 0.0347 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8638 1.1920 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1606 0.6492 0.2723 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1601 1.6140 0.3088 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6526 -1.0471 0.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4919 -0.9901 -0.1586 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8750 -1.7361 -0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6836 -1.5688 0.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6465 1.0853 -2.5912 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0997 0.4536 1.6472 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3538 1.9231 -2.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8119 1.2814 2.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9167 -1.4313 -1.9546 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2407 -1.8516 -2.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2321 -2.9153 -1.2686 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1976 0.9353 0.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1722 -2.0102 -0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6289 -2.2448 1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 24 1 0 0 0 0 3 24 1 0 0 0 0 4 24 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 6 19 1 0 0 0 0 7 22 1 0 0 0 0 7 35 1 0 0 0 0 8 22 2 0 0 0 0 9 19 1 0 0 0 0 9 23 2 0 0 0 0 10 17 1 0 0 0 0 10 22 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 2 0 0 0 0 12 16 1 0 0 0 0 13 15 1 0 0 0 0 13 26 1 0 0 0 0 14 16 2 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 20 2 0 0 0 0 18 23 1 0 0 0 0 18 24 1 0 0 0 0 19 21 2 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 23 34 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoic acid

4.2 InChI

InChI=1S/C15H11ClF3NO4/c1-8(14(21)22)23-10-2-4-11(5-3-10)24-13-12(16)6-9(7-20-13)15(17,18)19/h2-8H,1H3,(H,21,22)

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)