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Carbendazim
CAS: 10605-21-7 | C9H9N3O2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
10605-21-7
Molecular Formula:
C9H9N3O2
Molecular Mass:
191.19 g/mol
Names and Synonyms:
Carbendazim
Carbamic acid, N-1H-benzimidazol-2-yl-, methyl ester
Derosal
Bavistine
BMK (fungicide)
Methyl benzimidazolylcarbamate
Funaben
U 32104
Mecarzole
IPO 1250
Bavistin 3460
Thicoper
Lignasan
A 118
A 118 (pesticide)
Medamine
Delsene 10
2-(Methoxycarboxamido)benzimidazole
Delsene
Kolfugo
Funaben 50
Derosal 60PM
Myco
Antibac MF
Supercarb
BCM
BCM (fungicide)
Battal
EK 578
Bavistin FL
Triticol
Garbenda
Kolfugo Extra
Bitosen
Bavistin 25SD
Bavistin 50SD
Funaben 3
Bavistan
Bercema-Bitosen
Stein
Spin
Preventol BCM
Falicarben
Bengard
Agrizim
Carben VL
Zhiweiling
IPO Y
Spin (pesticide)
Olgin
Jkstein
Olgin (fungicide)
Kolfugo 25FW
Methoxycarbonylaminobenzimidazole
Karben flo Stefes
Karben
Karben Stefes Flo
Sarfun
Fungoxan
Protek
NSC 109874
Subeej
Ferazim
Corbel
Pillarstin
Kemdazin
Carbendor
Stempor
Cekudazim
Custos
Defensor
Carbate
Equitdazin
Aimcozim
Bendazim
Derroprene
Supercarb (fungicide)
Methyl 1H-2-benzimidazolecarbaminate
Kolfugo Super
FB 642
Benfil
Spin Flo
Dhanustin
GLSTIN
Galofungin
San-ai 700
Derosol 60WP
Biocut BM 10
B 350
Amolden TSM 32
Corzim 50WP
Corzim
Bavistin DF
Troysan CF 20
Elsa
Carbomax
Bavistin 50WP
Carbex 500SC
Duojunling ISO
Apizas AP-OK
Kvistin
2-Benzimidazolecarbamic acid, methyl ester
Carbamic acid, 1H-benzimidazol-2-yl-, methyl ester
MBC
CTR 6669
Methyl 2-benzimidazolecarbamate
Methyl 1H-benzimidazol-2-ylcarbamate
Methyl 2-benzimidazolylcarbamate
HOE 17411
Carbendazim
Carbendazole
2-[(Methoxycarbonyl)amino]benzimidazole
Bavistin
BAS 67054F
BAS 3460F
Methyl 1H-benzimidazole-2-carbamate
Carbendazime
BMK
G 665
Preparation G 665
Carbendazol
BAS 3460
2-(Carbomethoxyamino)benzimidazole
2-(Methoxycarbamoyl)benzimidazole
Identifiers:
SMILES:
COC(O)=Nc1nc2ccccc2[nH]1
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)
Key Properties
Melting Point
300 °C (decomp)
CAS Common Chemistry
Density
1.45 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 191.19 g/mol | CAS Common Chemistry |
| 191.19000000000003 g/mol | RDKit | |
| 191.069476528 g/mol | RDKit | |
| Density | 1.45 g/cm³ | CAS Common Chemistry |
| 1.45 g/cm3 @ Temp: 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 |
| LogP | 1.7548 | RDKit |
| Molar Refractivity | 52.82650000000002 | RDKit |
