CAS No.: 10605-21-7 — Carbendazim (-)

1. Primary Information

English name:	Carbendazim
CAS No.:	10605-21-7
Molecular formula:	C₉H₉N₃O₂
Molecular weight:	191.19 g/mol
SMILES:	COC(=O)NC1=NC2=CC=CC=C2N1
Structural class:
Other identifiers:	1h-benzimidazole-2-carbamic acid, methyl ester 2-(methoxycarbonylamino)benzimidazole Bavistan Bavistin benzimidazolecarbamate methyl ester

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	250mg	HPLC≥98%	144	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	38	-20℃	in stock	-
Kehua Intelligence	25g	96%(HPLC)	28	2-8℃	in stock	-
Kehua Intelligence	100g	96%(HPLC)	92	2-8℃	in stock	-
Kehua Intelligence	500g	96%(HPLC)	432	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 23 24 0 0 0 0 0 0 0999 V2000 4.0236 -0.5055 -0.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6787 1.3415 -0.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0525 0.6616 0.0011 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5217 -1.5110 0.0004 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7916 -0.8353 0.0007 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4216 0.5828 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6895 -0.7833 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4391 -0.6141 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4182 1.5593 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0253 -1.2192 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7420 1.1077 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0422 -0.2564 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8061 0.1234 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1737 0.3484 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4907 1.5145 0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1825 2.6175 0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2691 -2.2767 -0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5519 1.8330 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0810 -0.5768 -0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0756 -1.8110 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1831 0.9696 -0.9017 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0657 -0.2837 -0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1838 0.9701 0.8993 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 13 2 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 3 15 1 0 0 0 0 4 7 1 0 0 0 0 4 8 2 0 0 0 0 5 8 1 0 0 0 0 5 13 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 9 2 0 0 0 0 7 10 2 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 11 12 2 0 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 14 21 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

methyl N-(1H-benzimidazol-2-yl)carbamate

4.2 InChI

InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)

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)