CAS No.: 72178-02-0 — Fomesafen (氟磺胺草醚)

1. Primary Information

English name:	Fomesafen
CAS No.:	72178-02-0
Molecular formula:	C₁₅H₁₀ClF₃N₂O₆S
Molecular weight:	438.8 g/mol
SMILES:	CS(=O)(=O)NC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]
Structural class:
Other identifiers:	5-(2-chloro-4-(trifluoromethyl)-phenoxy)-N-(methylsulfonyl)-2-nitrobenzamide fomesafen fomesafen potassium fomesafen sodium

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1ml	100μg/ml in acetone	80	2-8℃	in stock	-
Kehua Intelligence	1ml	1000μg/ml in acetone	208	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	80	2-8℃	in stock	-
Kehua Intelligence	100mg	99%	968	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 38 39 0 0 0 0 0 0 0999 V2000 2.6222 -1.7534 2.8717 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.8939 3.3113 -0.0127 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0647 1.6542 -1.9089 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8356 2.4459 0.0973 F 0 0 0 0 0 0 0 0 0 0 0 0 6.2655 0.8523 -0.2829 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0508 -2.6030 0.4549 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0963 0.7790 1.7796 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4285 4.1486 -1.1004 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2875 3.3142 0.3880 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9248 -2.1285 -1.3534 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.6867 -0.1698 -0.3912 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3998 1.6911 -0.2636 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2311 -1.2844 -0.7392 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0663 -0.6981 0.2564 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2379 -2.2746 0.1652 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8802 -1.6026 -0.4258 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7451 -1.0342 0.5518 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5612 0.6076 0.6761 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0267 -1.6492 0.2194 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0517 -3.1790 -0.5169 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3729 -2.8430 -0.8126 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9639 0.2561 -0.3098 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8151 -1.1811 1.2559 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1841 -1.1869 -1.0763 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7913 -0.2211 0.9895 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1604 -0.2269 -1.3427 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9247 3.6939 1.4262 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0082 1.2816 -0.5958 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1302 -0.3248 1.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6614 -4.1467 -0.8205 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9739 -3.5754 -1.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8226 1.5132 -1.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5738 -1.5622 -1.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4210 0.1594 1.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2815 0.1305 -2.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0687 4.7538 1.6497 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2595 3.1002 2.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8716 3.5101 1.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 8 2 0 0 0 0 2 9 2 0 0 0 0 2 12 1 0 0 0 0 2 27 1 0 0 0 0 3 28 1 0 0 0 0 4 28 1 0 0 0 0 5 28 1 0 0 0 0 6 15 1 0 0 0 0 6 19 1 0 0 0 0 7 18 2 0 0 0 0 10 13 1 0 0 0 0 11 13 2 0 0 0 0 12 18 1 0 0 0 0 12 32 1 0 0 0 0 13 16 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 15 17 2 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 17 29 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 20 21 2 0 0 0 0 20 30 1 0 0 0 0 21 31 1 0 0 0 0 22 25 2 0 0 0 0 22 26 1 0 0 0 0 22 28 1 0 0 0 0 23 25 1 0 0 0 0 24 26 2 0 0 0 0 24 33 1 0 0 0 0 25 34 1 0 0 0 0 26 35 1 0 0 0 0 27 36 1 0 0 0 0 27 37 1 0 0 0 0 27 38 1 0 0 0 0 M CHG 2 10 -1 13 1

4. International Nomenclature & Identifiers

4.1 IUPAC Name

5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylsulfonyl-2-nitrobenzamide

4.2 InChI

InChI=1S/C15H10ClF3N2O6S/c1-28(25,26)20-14(22)10-7-9(3-4-12(10)21(23)24)27-13-5-2-8(6-11(13)16)15(17,18)19/h2-7H,1H3,(H,20,22)

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)