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Molecule
Fenpropathrin
CAS: 64257-84-7 · C22H23NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 64257-84-7
- Molecular Formula
- C22H23NO3
- Molecular Mass
- 349.43 g/mol
Identifiers
CAS Registry Number
64257-84-7
SMILES
CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C
InChI Key
XQUXKZZNEFRCAW-UHFFFAOYSA-N
InChI
InChI=1S/C22H23NO3/c1-21(2)19(22(21,3)4)20(24)26-18(14-23)15-9-8-12-17(13-15)25-16-10-6-5-7-11-16/h5-13,18-19H,1-4H3
Names and Synonyms
- Fenpropathrin Common Name
- Cyclopropanecarboxylic acid, 2,2,3,3-tetramethyl-, cyano(3-phenoxyphenyl)methyl ester Synonym
- SD 41706 Synonym
- WL 41706 Synonym
- S 3206 Synonym
- Fenpropanate Synonym
- α-Cyano-3-phenoxybenzyl 2,2,3,3-tetramethylcyclopropanecarboxylate Synonym
- Fenpropathrin Synonym
- Meothrin Synonym
- Meiothrin Synonym
- Danitol Synonym
- Miothrin Synonym
- Danitol Fiori Synonym
- Kilumal Synonym
- Smash Synonym
- Rody Synonym
- XE 938 Synonym
- Tame Synonym
- Danitol 10EC Synonym
- (±)-Fenpropathrin Synonym
- Danimen Synonym
- 2,2,3,3-Tetramethylcyclopropanecarboxylic acid cyano(3-phenoxyphenyl)methyl ester Synonym
- Danitol 2.4EC Synonym
- Lodi Emulsion Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 349.43 g/mol | CAS Common Chemistry |
| 349.43000000000006 g/mol | RDKit | |
| Canonical SMILES | N#CC(OC(=O)C1C(C)(C)C1(C)C)C=2C=CC=C(OC=3C=CC=CC3)C2 | CAS Common Chemistry |
| InChI | InChI=1S/C22H23NO3/c1-21(2)19(22(21,3)4)20(24)26-18(14-23)15-9-8-12-17(13-15)25-16-10-6-5-7-11-16/h5-13,18-19H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XQUXKZZNEFRCAW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 47 °C | CAS Common Chemistry |
| Name | Fenpropathrin | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 59.32000000000001 Ų | RDKit |
| 59.32 Ų | RDKit | |
| LogP | 5.268980000000004 | RDKit |
| 5.269 | RDKit | |
| Molar Refractivity | 98.45600000000006 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3636 | RDKit |
| 0.36 | chempirical lib | |
| Exact Mass | 349.167793596 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
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MW = 349.43 g/mol. Edit any field — others recompute live.
