CAS No.: 128639-02-1 — Carfentrazone-ethyl (氟酮唑草)

1. Primary Information

English name:	Carfentrazone-ethyl
CAS No.:	128639-02-1
Molecular formula:	C₁₅H₁₄Cl₂F₃N₃O₃
Molecular weight:	412.2 g/mol
SMILES:	CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl
Structural class:
Other identifiers:	((14)C)carfentrazone-ethyl carfentrazone-ethyl ethyl alpha-2-dichloro-5-(4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl)-4-fluorobenzenepropanoate

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	1000μg/ml in methylbenzene	360	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methylbenzene	152	2-8℃	in stock	-
Kehua Intelligence	10mg	98%	1504	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 40 41 0 1 0 0 0 0 0999 V2000 5.5178 -1.2502 -0.7299 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0479 2.9251 -0.0638 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8754 3.3367 0.9837 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.0951 -1.1287 -1.5643 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.7534 -2.0352 0.3889 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2187 -1.8546 1.0711 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1721 -1.2656 -1.0933 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1682 -3.0307 -0.6699 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4829 0.8395 -0.0660 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2524 -0.4610 -0.3598 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5742 1.5098 0.4340 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1615 1.0352 -0.6098 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2349 0.1747 -1.1947 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1869 1.3215 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8531 0.5516 -0.6061 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8916 -0.7603 -0.1680 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8839 -0.4159 -0.5766 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4416 2.2934 -0.0764 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5739 0.7037 0.2366 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1049 2.5839 0.4645 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4132 3.0677 0.4608 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1305 -1.5594 -0.7161 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9784 1.0201 0.6268 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0823 -2.0272 0.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3552 -2.9615 1.3477 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4681 -2.6128 2.5239 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9863 0.8035 -1.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8132 -0.4178 -2.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7221 -0.4266 -1.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0516 -0.2714 0.7986 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6144 4.0500 0.8804 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5718 -2.3710 -1.1904 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0289 2.0049 1.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3461 0.2673 1.3291 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6184 1.0148 -0.2596 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7371 -3.1707 0.4675 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9581 -3.8443 1.5875 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2068 -3.4392 2.7635 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0721 -2.3808 3.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1289 -1.7212 2.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 18 1 0 0 0 0 3 20 1 0 0 0 0 4 22 1 0 0 0 0 5 22 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 17 2 0 0 0 0 8 24 2 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 17 1 0 0 0 0 10 17 1 0 0 0 0 10 19 1 0 0 0 0 10 22 1 0 0 0 0 11 19 2 0 0 0 0 12 13 1 0 0 0 0 12 15 2 0 0 0 0 12 18 1 0 0 0 0 13 16 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 20 2 0 0 0 0 15 29 1 0 0 0 0 16 24 1 0 0 0 0 16 30 1 0 0 0 0 18 21 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 21 31 1 0 0 0 0 22 32 1 0 0 0 0 23 33 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 25 26 1 0 0 0 0 25 36 1 0 0 0 0 25 37 1 0 0 0 0 26 38 1 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate

4.2 InChI

InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3

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)