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Carbofuran
CAS: 1563-66-2 | C12H15NO3
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
1563-66-2
Molecular Formula:
C12H15NO3
Molecular Mass:
221.26 g/mol
Names and Synonyms:
Carbofuran
7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-, 7-(N-methylcarbamate)
Carbamic acid, methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-, methylcarbamate
NIA 10242
2,3-Dihydro-2,2-dimethyl-7-benzofuranyl methylcarbamate
Furadan
Niagara 10242
Carbofuran
2,3-Dihydro-2,2-dimethyl-7-benzofuranyl N-methylcarbamate
BAY 70143
OMS 864
2,2-Dimethyl-2,3-dihydro-7-benzofuranyl N-methylcarbamate
Curaterr
2,2-Dimethyl-7-coumaranyl N-methylcarbamate
Furadan 3G
Chinufur
Furadan 75WP
Furadan 4F
Furadan SP 50
Yaltox
Diafuran
Diafuran 5G
Curaterr 5
Terafuran
Sunfuran
Adifur
NSC 167822
Furadan 350S
Furadan F
Furadan G
Brifer
2,3-Dihydro-2,2-dimethyl-7-benzofuranol methylcarbamate
Furadan 350SC
2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate
396carbofuran
Identifiers:
SMILES:
CN=C(O)Oc1cccc2c1OC(C)(C)C2
InChI:
InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)
Key Properties
Melting Point
151 °C
CAS Common Chemistry
Density
1.18 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 | 221.26 g/mol | CAS Common Chemistry |
| 221.25599999999994 g/mol | RDKit | |
| 221.10519334 g/mol | RDKit | |
| Density | 1.18 g/cm³ | CAS Common Chemistry |
| 1.180 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Carbofuran | CAS Common Chemistry |
| Canonical SMILES | O=C(OC1=CC=CC2=C1OC(C)(C)C2)NC | CAS Common Chemistry |
| InChI | InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14) | CAS Common Chemistry |
| InChI Key | InChIKey=DUEPRVBVGDRKAG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 151 °C | CAS Common Chemistry |
| Name | Carbofuran | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 51.05000000000001 Ų | RDKit |
| LogP | 2.3227 | RDKit |
| Molar Refractivity | 61.46880000000004 | RDKit |
