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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
Names and Synonyms:
Fenpropathrin
Cyclopropanecarboxylic acid, 2,2,3,3-tetramethyl-, cyano(3-phenoxyphenyl)methyl ester
SD 41706
WL 41706
S 3206
Fenpropanate
α-Cyano-3-phenoxybenzyl 2,2,3,3-tetramethylcyclopropanecarboxylate
Fenpropathrin
Meothrin
Meiothrin
Danitol
Miothrin
Danitol Fiori
Kilumal
Smash
Rody
XE 938
Tame
Danitol 10EC
(±)-Fenpropathrin
Danimen
2,2,3,3-Tetramethylcyclopropanecarboxylic acid cyano(3-phenoxyphenyl)methyl ester
Danitol 2.4EC
Lodi Emulsion
Identifiers:
SMILES:
CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C
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
Key Properties
Melting Point
47 °C
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 | 349.43 g/mol | CAS Common Chemistry |
| 349.43000000000006 g/mol | RDKit | |
| 349.167793596 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 |
| LogP | 5.268980000000004 | RDKit |
| Molar Refractivity | 98.45600000000006 | RDKit |
