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Pirimiphos-Methyl
CAS: 29232-93-7 | C11H20N3O3PS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
29232-93-7
Molecular Formula:
C11H20N3O3PS
Molecular Mass:
305.34 g/mol
Names and Synonyms:
Pirimiphos-Methyl
Phosphorothioic acid, O-[2-(diethylamino)-6-methyl-4-pyrimidinyl] O,O-dimethyl ester
4-Pyrimidinol, 2-(diethylamino)-6-methyl-, O-ester with O,O-dimethyl phosphorothioate
Plant Protection PP 511
Actellic
Pirimiphos methyl
PP 511
Methylpirimiphos
2-Diethylamino-6-methylpyrimidin-4-yl dimethyl phosphorothionate
Methyl pyrimiphos
O-[2-(Diethylamino)-6-methyl-4-pyrimidinyl] O,O-dimethyl phosphorothioate
ENT 27699Gc
Pirimiphos Me
Pyrimidine phosphate
2-Diethylamino-6-methylpyrimidine-4-yl dimethyl phosphorothionate
Pyrimiphos methyl
Blex
Silosan
Actellic 50
VUCHT 388
Tomahawk
Orafon
Methylpyrimifos
Actellic 25EC
Piritione
Dominator
Rotator
Actellic 50E
Actellic Polvo
Actellic Powder
Pirimiphos M
Actellic 50EC
Identifiers:
SMILES:
CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1
InChI:
InChI=1S/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3
Key Properties
Melting Point
15 °C
CAS Common Chemistry
Density
1.17 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 | 305.34 g/mol | CAS Common Chemistry |
| 305.34000000000003 g/mol | RDKit | |
| 305.09629913 g/mol | RDKit | |
| Density | 1.17 g/cm³ | CAS Common Chemistry |
| 1.17 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Pirimiphos-methyl | CAS Common Chemistry |
| Canonical SMILES | S=P(OC1=NC(=NC(=C1)C)N(CC)CC)(OC)OC | CAS Common Chemistry |
| InChI | InChI=1S/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QHOQHJPRIBSPCY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 15 °C | CAS Common Chemistry |
| Name | Pirimiphos methyl | CAS Common Chemistry |
| Pirimiphos-methyl | CAS Common Chemistry | |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 56.71000000000001 Ų | RDKit |
| LogP | 2.5273200000000005 | RDKit |
| Molar Refractivity | 79.26100000000005 | RDKit |
