Back to Search
Diflubenzuron
CAS: 35367-38-5 | C14H9ClF2N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
35367-38-5
Molecular Formula:
C14H9ClF2N2O2
Molecular Mass:
310.69 g/mol
Names and Synonyms:
Diflubenzuron
Benzamide, N-[[(4-chlorophenyl)amino]carbonyl]-2,6-difluoro-
N-[[(4-Chlorophenyl)amino]carbonyl]-2,6-difluorobenzamide
PH 60-40
OMS 1804
TH 6040
1-(4-Chlorophenyl)-3-(2,6-difluorobenzoyl)urea
Thompson-Hayward 6040
Difluron
Dimilin
Diflubenzuron
Duphar PH 60-40
AI 3-29054
N-(2,6-Difluorobenzoyl)-N′-(4-chlorophenyl)urea
Larvakil
Dimilin 25
N-(p-Chlorophenyl)-N′-(2,6-difluorobenzoyl)urea
Micromite
Micromite (Uniroyal)
Minerin
Suniao-one
Rotadin
Du-Dim
Sniper
Sniper (benzoylurea insecticide)
Mosdop P
Mosdop TB
Identifiers:
SMILES:
O=C(N=C(O)c1c(F)cccc1F)Nc1ccc(Cl)cc1
InChI:
InChI=1S/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)
Key Properties
Melting Point
239 °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 | 310.69 g/mol | CAS Common Chemistry |
| 310.687 g/mol | RDKit | |
| 310.032061648 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diflubenzuron | CAS Common Chemistry |
| Canonical SMILES | O=C(NC(=O)C=1C(F)=CC=CC1F)NC2=CC=C(Cl)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21) | CAS Common Chemistry |
| InChI Key | InChIKey=QQQYTWIFVNKMRW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 239 °C | CAS Common Chemistry |
| Name | Diflubenzuron | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 61.69 Ų | RDKit |
| LogP | 4.154900000000001 | RDKit |
| Molar Refractivity | 75.99450000000003 | RDKit |
