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Molecule
Carbendazim
CAS: 10605-21-7 · C9H9N3O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 10605-21-7
- Molecular Formula
- C9H9N3O2
- Molecular Mass
- 191.19 g/mol
Identifiers
CAS Registry Number
10605-21-7
SMILES
COC(O)=Nc1nc2ccccc2[nH]1
InChI Key
TWFZGCMQGLPBSX-UHFFFAOYSA-N
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)
Names and Synonyms
- Carbendazim Synonym
- Carbamic acid, N-1H-benzimidazol-2-yl-, methyl ester Synonym
- Derosal Synonym
- Bavistine Synonym
- BMK (fungicide) Synonym
- Methyl benzimidazolylcarbamate Synonym
- Funaben Synonym
- U 32104 Synonym
- Mecarzole Synonym
- IPO 1250 Synonym
- Bavistin 3460 Synonym
- Thicoper Synonym
- Lignasan Synonym
- A 118 Synonym
- A 118 (pesticide) Synonym
- Medamine Synonym
- Delsene 10 Synonym
- 2-(Methoxycarboxamido)benzimidazole Synonym
- Delsene Synonym
- Kolfugo Synonym
- Funaben 50 Synonym
- Derosal 60PM Synonym
- Myco Synonym
- Antibac MF Synonym
- Supercarb Synonym
- BCM Synonym
- BCM (fungicide) Synonym
- Battal Synonym
- EK 578 Synonym
- Bavistin FL Synonym
- Triticol Synonym
- Garbenda Synonym
- Kolfugo Extra Synonym
- Bitosen Synonym
- Bavistin 25SD Synonym
- Bavistin 50SD Synonym
- Funaben 3 Synonym
- Bavistan Synonym
- Bercema-Bitosen Synonym
- Stein Synonym
- Spin Synonym
- Preventol BCM Synonym
- Falicarben Synonym
- Bengard Synonym
- Agrizim Synonym
- Carben VL Synonym
- Zhiweiling Synonym
- IPO Y Synonym
- Spin (pesticide) Synonym
- Olgin Synonym
- Jkstein Synonym
- Olgin (fungicide) Synonym
- Kolfugo 25FW Synonym
- Methoxycarbonylaminobenzimidazole Synonym
- Karben flo Stefes Synonym
- Karben Synonym
- Karben Stefes Flo Synonym
- Sarfun Synonym
- Fungoxan Synonym
- Protek Synonym
- NSC 109874 Synonym
- Subeej Synonym
- Ferazim Synonym
- Corbel Synonym
- Pillarstin Synonym
- Kemdazin Synonym
- Carbendor Synonym
- Stempor Synonym
- Cekudazim Synonym
- Custos Synonym
- Defensor Synonym
- Carbate Synonym
- Equitdazin Synonym
- Aimcozim Synonym
- Bendazim Synonym
- Derroprene Synonym
- Supercarb (fungicide) Synonym
- Methyl 1H-2-benzimidazolecarbaminate Synonym
- Kolfugo Super Synonym
- FB 642 Synonym
- Benfil Synonym
- Spin Flo Synonym
- Dhanustin Synonym
- GLSTIN Synonym
- Galofungin Synonym
- San-ai 700 Synonym
- Derosol 60WP Synonym
- Biocut BM 10 Synonym
- B 350 Synonym
- Amolden TSM 32 Synonym
- Corzim 50WP Synonym
- Corzim Synonym
- Bavistin DF Synonym
- Troysan CF 20 Synonym
- Elsa Synonym
- Carbomax Synonym
- Bavistin 50WP Synonym
- Carbex 500SC Synonym
- Duojunling ISO Synonym
- Apizas AP-OK Synonym
- Kvistin Synonym
- 2-Benzimidazolecarbamic acid, methyl ester Synonym
- Carbamic acid, 1H-benzimidazol-2-yl-, methyl ester Synonym
- MBC Synonym
- CTR 6669 Synonym
- Methyl 2-benzimidazolecarbamate Synonym
- Methyl 1H-benzimidazol-2-ylcarbamate Synonym
- Methyl 2-benzimidazolylcarbamate Synonym
- HOE 17411 Synonym
- Carbendazim Synonym
- Carbendazole Synonym
- 2-[(Methoxycarbonyl)amino]benzimidazole Synonym
- Bavistin Synonym
- BAS 67054F Synonym
- BAS 3460F Synonym
- Methyl 1H-benzimidazole-2-carbamate Synonym
- Carbendazime Synonym
- BMK Synonym
- G 665 Synonym
- Preparation G 665 Synonym
- Carbendazol Synonym
- BAS 3460 Synonym
- 2-(Carbomethoxyamino)benzimidazole Synonym
- 2-(Methoxycarbamoyl)benzimidazole Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 191.19 g/mol | CAS Common Chemistry |
| 191.19000000000003 g/mol | RDKit | |
| Density | 1.45 g/cm³ | CAS Common Chemistry |
| 1.45 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Carbendazim | CAS Common Chemistry |
| Canonical SMILES | O=C(OC)NC1=NC=2C=CC=CC2N1 | CAS Common Chemistry |
| 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) | CAS Common Chemistry |
| InChI Key | InChIKey=TWFZGCMQGLPBSX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 300 °C (decomp) | CAS Common Chemistry |
| Name | Carbendazim | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 70.5 Ų | RDKit |
| 66.21 Ų | chempirical lib | |
| LogP | 1.7548 | RDKit |
| Molar Refractivity | 52.82650000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1111 | RDKit |
| 0.11 | chempirical lib | |
| Exact Mass | 191.069476528 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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Quick conversion
MW = 191.19 g/mol; density = 1.450 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H9N3O2.
