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Molecule
Pyriproxyfen
CAS: 95737-68-1 · C20H19NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 95737-68-1
- Molecular Formula
- C20H19NO3
- Molecular Mass
- 321.38 g/mol
Identifiers
CAS Registry Number
95737-68-1
SMILES
CC(COc1ccc(Oc2ccccc2)cc1)Oc1ccccn1
InChI Key
NHDHVHZZCFYRSB-UHFFFAOYSA-N
InChI
InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3
Names and Synonyms
- Pyriproxyfen Common Name
- Pyridine, 2-[1-methyl-2-(4-phenoxyphenoxy)ethoxy]- Synonym
- 2-[1-Methyl-2-(4-phenoxyphenoxy)ethoxy]pyridine Synonym
- S 31183 Synonym
- Pyriproxyfen Synonym
- S 9138 Synonym
- SK 591 Synonym
- BCP 8702 Synonym
- OMS 3019 Synonym
- Sumilarv Synonym
- Tiger 10EC Synonym
- Tiger (insecticide) Synonym
- Tiger Synonym
- Admiral Synonym
- S 71639 Synonym
- Nylar Synonym
- Nemesis Synonym
- Knack Synonym
- Lano Tape Synonym
- Esteem Synonym
- Juventox Synonym
- Distance Synonym
- Seize Synonym
- Pluto MC Synonym
- Archer IGR Synonym
- Distance IGR Synonym
- NyGuard IGR Synonym
- Juvinal Synonym
- BRAI Synonym
- BRAI 10EC Synonym
- 2-((1-(4-Phenoxyphenoxy)propan-2-yl)oxy)pyridine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 321.38 g/mol | CAS Common Chemistry |
| 321.37600000000003 g/mol | RDKit | |
| 321.376 g/mol | RDKit | |
| Density | 1.23 g/cm³ | CAS Common Chemistry |
| 1.23 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Pyriproxyfen | CAS Common Chemistry |
| Canonical SMILES | N=1C=CC=CC1OC(C)COC2=CC=C(OC=3C=CC=CC3)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NHDHVHZZCFYRSB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 45-47 °C | CAS Common Chemistry |
| Name | Pyriproxyfen | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 40.58 Ų | RDKit |
| 40.05 Ų | chempirical lib | |
| LogP | 4.720200000000004 | RDKit |
| 4.7202 | RDKit | |
| Molar Refractivity | 92.78000000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.15 | RDKit |
| Exact Mass | 321.136493468 g/mol | RDKit |
| Boiling Point | 230-250 °C @ 0.2 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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120
100
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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.
External Resources
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MW = 321.38 g/mol; density = 1.230 g/mL. Edit any field — others recompute live.
