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Cyfluthrin
CAS: 68359-37-5 | C22H18Cl2FNO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
68359-37-5
Molecular Formula:
C22H18Cl2FNO3
Molecular Mass:
434.29 g/mol
Names and Synonyms:
Cyfluthrin
Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, cyano(4-fluoro-3-phenoxyphenyl)methyl ester
Cyfluthrin
BAY-FCR 1272
Baythroid
FCR 1272
α-Cyano-3-phenoxy-4-fluorobenzyl 2,2-dimethyl-3-(2,2-dichlorovinyl)cyclopropanecarboxylate
Eulan SP
BAY-Vl 1704
Solfac
Tempo 2
Optem PT 600
Renounce
Tombstone
Preventol HS 12
Tombstone Helios
α-Cyano-4-fluoro-3-phenoxybenzyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate
Tempo 20WP
Cyfloxylate
Solfac 050EW
Adalticid Solfak
Identifiers:
SMILES:
CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1ccc(F)c(Oc2ccccc2)c1
InChI:
InChI=1S/C22H18Cl2FNO3/c1-22(2)15(11-19(23)24)20(22)21(27)29-18(12-26)13-8-9-16(25)17(10-13)28-14-6-4-3-5-7-14/h3-11,15,18,20H,1-2H3
Key Properties
Melting Point
60 °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 | 434.29 g/mol | CAS Common Chemistry |
| 434.29400000000015 g/mol | RDKit | |
| 433.064777016 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cyfluthrin | CAS Common Chemistry |
| Canonical SMILES | N#CC(OC(=O)C1C(C=C(Cl)Cl)C1(C)C)C2=CC=C(F)C(OC=3C=CC=CC3)=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C22H18Cl2FNO3/c1-22(2)15(11-19(23)24)20(22)21(27)29-18(12-26)13-8-9-16(25)17(10-13)28-14-6-4-3-5-7-14/h3-11,15,18,20H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QQODLKZGRKWIFG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 60 °C | CAS Common Chemistry |
| Name | Cyfluthrin | CAS Common Chemistry |
| Heavy Atom Count | 29 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 59.32000000000001 Ų | RDKit |
| LogP | 6.317080000000003 | RDKit |
| Molar Refractivity | 107.91199999999999 | RDKit |
