CAS No.: 83055-99-6 — Bensulfuron-methyl (-)

1. Primary Information

English name:	Bensulfuron-methyl
CAS No.:	83055-99-6
Molecular formula:	C₁₆H₁₈N₄O₇S
Molecular weight:	410.4 g/mol
SMILES:	COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)OC)OC
Structural class:
Other identifiers:	2-((((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)methyl)benzoic acid methyl ester bensulfuron methyl bensulphuron-methyl Londax methyl bensulfuron

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1ml	100μg/ml in methanol	80	-20℃	in stock	-
Kehua Intelligence	1ml	1000μg/ml in methanol	208	-20℃	in stock	-
Kehua Intelligence	100mg	97%	1024	-20℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in acetonitrile	64	-20℃，避光	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in acetonitrile	166	-20℃，避光	in stock	-
Kehua Intelligence	5g	≥98%(HPLC)	512	-20℃	in stock	-
Kehua Intelligence	25g	≥98%(HPLC)	1075	-20℃	in stock	-
Kehua Intelligence	100g	≥98%(HPLC)	2634	-20℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 46 47 0 0 0 0 0 0 0999 V2000 1.7649 1.5802 0.9026 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0529 0.5363 1.8661 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3719 2.8917 1.0206 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6438 -2.0069 1.3166 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4344 -2.1231 -0.6386 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4959 -0.4310 0.2605 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7830 1.1608 -0.2304 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2604 -2.8309 -0.6468 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0769 1.7728 0.7295 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1528 1.2113 0.3547 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4830 1.2000 0.0630 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2006 -0.8291 -0.1489 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1570 0.9556 -0.7134 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6346 0.7164 -0.7636 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1783 -0.5150 -0.3979 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4707 1.7502 -1.1858 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5579 -0.7128 -0.4545 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8503 1.5524 -1.2424 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3939 0.3211 -0.8769 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3284 -1.6116 0.0461 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8579 0.7272 0.4274 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3378 0.4915 0.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5933 0.4826 -0.2063 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3504 -1.4844 -0.4117 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5876 -0.8750 -0.4542 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8761 -3.0829 1.8666 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7292 2.5582 0.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9601 -3.4057 -0.5901 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8653 1.7203 -1.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5762 0.0640 -0.9357 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0625 2.7150 -1.4749 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2788 2.7373 0.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9964 -1.6679 -0.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5013 2.3570 -1.5715 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4679 0.1669 -0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2904 2.2047 0.5195 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4948 -1.4260 -0.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8189 -2.8053 1.9147 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0115 -3.9874 1.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2365 -3.2749 2.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3463 2.7540 1.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1271 3.0765 -0.7216 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7490 2.9506 -0.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3049 -2.9709 -1.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5241 -3.2931 0.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0555 -4.4756 -0.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 4 20 1 0 0 0 0 4 26 1 0 0 0 0 5 20 2 0 0 0 0 6 21 2 0 0 0 0 7 23 1 0 0 0 0 7 27 1 0 0 0 0 8 24 1 0 0 0 0 8 28 1 0 0 0 0 9 21 1 0 0 0 0 9 32 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 10 36 1 0 0 0 0 11 22 1 0 0 0 0 11 23 2 0 0 0 0 12 22 2 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 17 2 0 0 0 0 15 20 1 0 0 0 0 16 18 1 0 0 0 0 16 31 1 0 0 0 0 17 19 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 23 25 1 0 0 0 0 24 25 2 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 27 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate

4.2 InChI

InChI=1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22)

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)