CAS No.: 69806-40-2 — Haloxyfop-methyl (氟吡甲禾灵)

1. Primary Information

English name:	Haloxyfop-methyl
CAS No.:	69806-40-2
Molecular formula:	C₁₆H₁₃ClF₃NO₄
Molecular weight:	375.72 g/mol
SMILES:	CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	1000μg/ml in methanol(anhydrous)	624	RT	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	208	RT	in stock	-
Kehua Intelligence	10mg	98%	496	RT	in stock	-
Kehua Intelligence	250mg	95%	376	RT	in stock	-
Kehua Intelligence	1g	95%	960	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 38 39 0 1 0 0 0 0 0999 V2000 -3.9609 3.0936 0.9829 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.3451 -1.4881 0.1987 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.1437 -2.4113 -1.3533 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.8013 -2.9238 0.7320 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9646 0.6250 -0.8908 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1988 2.1372 0.3063 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7371 -2.0348 0.7208 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9620 0.2559 0.8646 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7690 -0.0496 -0.1569 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3155 -0.7246 -0.6269 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6798 1.0015 -0.5927 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 1.7639 0.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7474 -1.3643 -1.9348 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8534 1.4828 -1.6011 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2188 0.8972 0.7141 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5467 1.8655 -1.2982 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 1.2797 1.0171 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4349 -0.7439 0.3943 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1888 1.1727 0.2185 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0678 -0.7765 0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4940 1.5079 0.5092 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4505 0.5039 0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7268 -0.9995 -0.2461 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0666 -1.8720 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7653 -2.1984 1.7028 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4703 -1.2894 -0.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0102 -2.4185 -1.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9479 -1.2953 -2.6803 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6188 -0.8475 -2.3533 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2163 1.5628 -2.6218 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8620 0.5312 1.5092 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0986 2.2427 -2.0871 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5531 1.2009 2.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4929 0.7218 0.6252 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3687 -1.9782 -0.5505 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4659 -1.7312 2.6458 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7057 -1.7720 1.3409 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9073 -3.2692 1.8712 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 18 1 0 0 0 0 7 25 1 0 0 0 0 8 18 2 0 0 0 0 9 19 1 0 0 0 0 9 23 2 0 0 0 0 10 13 1 0 0 0 0 10 18 1 0 0 0 0 10 26 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 16 1 0 0 0 0 14 30 1 0 0 0 0 15 17 2 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 19 21 2 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 25 36 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

methyl 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate

4.2 InChI

InChI=1S/C16H13ClF3NO4/c1-9(15(22)23-2)24-11-3-5-12(6-4-11)25-14-13(17)7-10(8-21-14)16(18,19)20/h3-9H,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)