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Molecule
Diflubenzuron
CAS: 35367-38-5 · C14H9ClF2N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 35367-38-5
- Molecular Formula
- C14H9ClF2N2O2
- Molecular Mass
- 310.69 g/mol
Identifiers
CAS Registry Number
35367-38-5
SMILES
O=C(N=C(O)c1c(F)cccc1F)Nc1ccc(Cl)cc1
InChI Key
QQQYTWIFVNKMRW-UHFFFAOYSA-N
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)
Names and Synonyms
- Diflubenzuron Synonym
- Benzamide, N-[[(4-chlorophenyl)amino]carbonyl]-2,6-difluoro- Synonym
- N-[[(4-Chlorophenyl)amino]carbonyl]-2,6-difluorobenzamide Synonym
- PH 60-40 Synonym
- OMS 1804 Synonym
- TH 6040 Synonym
- 1-(4-Chlorophenyl)-3-(2,6-difluorobenzoyl)urea Synonym
- Thompson-Hayward 6040 Synonym
- Difluron Synonym
- Dimilin Synonym
- Diflubenzuron Synonym
- Duphar PH 60-40 Synonym
- AI 3-29054 Synonym
- N-(2,6-Difluorobenzoyl)-N′-(4-chlorophenyl)urea Synonym
- Larvakil Synonym
- Dimilin 25 Synonym
- N-(p-Chlorophenyl)-N′-(2,6-difluorobenzoyl)urea Synonym
- Micromite Synonym
- Micromite (Uniroyal) Synonym
- Minerin Synonym
- Suniao-one Synonym
- Rotadin Synonym
- Du-Dim Synonym
- Sniper Synonym
- Sniper (benzoylurea insecticide) Synonym
- Mosdop P Synonym
- Mosdop TB Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 310.69 g/mol | CAS Common Chemistry |
| 310.687 g/mol | RDKit | |
| 310.684 g/mol | chempirical lib | |
| 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 |
| 4.1549 | RDKit | |
| Molar Refractivity | 75.99450000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 310.032061648 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
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MW = 310.69 g/mol. Edit any field — others recompute live.
