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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
Names and Synonyms:
Pyriproxyfen
Pyridine, 2-[1-methyl-2-(4-phenoxyphenoxy)ethoxy]-
2-[1-Methyl-2-(4-phenoxyphenoxy)ethoxy]pyridine
S 31183
Pyriproxyfen
S 9138
SK 591
BCP 8702
OMS 3019
Sumilarv
Tiger 10EC
Tiger (insecticide)
Tiger
Admiral
S 71639
Nylar
Nemesis
Knack
Lano Tape
Esteem
Juventox
Distance
Seize
Pluto MC
Archer IGR
Distance IGR
NyGuard IGR
Juvinal
BRAI
BRAI 10EC
2-((1-(4-Phenoxyphenoxy)propan-2-yl)oxy)pyridine
Identifiers:
SMILES:
CC(COc1ccc(Oc2ccccc2)cc1)Oc1ccccn1
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
Key Properties
Boiling Point
230-250 °C @ Press: 0.2 Torr
CAS Common Chemistry
Melting Point
45-47 °C
CAS Common Chemistry
Density
1.23 g/cm³
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 | 321.38 g/mol | CAS Common Chemistry |
| 321.37600000000003 g/mol | RDKit | |
| 321.136493468 g/mol | RDKit | |
| Density | 1.23 g/cm³ | CAS Common Chemistry |
| 1.23 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Pyriproxyfen | CAS Common Chemistry |
| Boiling Point | 230-250 °C @ Press: 0.2 Torr | 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 |
| LogP | 4.720200000000004 | RDKit |
| Molar Refractivity | 92.78000000000004 | RDKit |
