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Parathion Methyl
CAS: 298-00-0 | C8H10NO5PS
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
298-00-0
Molecular Formula:
C8H10NO5PS
Molecular Mass:
263.21 g/mol
Names and Synonyms:
Parathion Methyl
Phosphorothioic acid, O,O-dimethyl O-(4-nitrophenyl) ester
Phosphorothioic acid, O,O-dimethyl O-(p-nitrophenyl) ester
8056HC
Dalf
O,O-Dimethyl O-(p-nitrophenyl) phosphorothioate
O,O-Dimethyl O-(4-nitrophenyl) phosphorothioate
Dimethyl 4-nitrophenyl phosphorothioate
O,O-Dimethyl O-(p-nitrophenyl) thiophosphate
Dimethyl p-nitrophenyl thiophosphate
O,O-Dimethyl O-(4-nitrophenyl) thiophosphate
Metacide
Metaphos
Methyl E 605
Methyl parathion
Nitrox 80
Nitrox
M-Parathion
Wofatox
Azofos
BAY 11405
Parathion-methyl
Thiophenit
Vofatox
Azophos
Dimethyl parathion
Methylthiophos
Metron
Metron (pesticide)
Dimethyl p-nitrophenyl phosphorothionate
Folidol M
Folidol M 40
Parathion methyl homolog
Sinafid M 48
Meptox
Penncap M
Demethylfenitrothion
Metafos
Metafos (pesticide)
Penncap MLS
Oleovofotox
Quinophos
Metacide (insecticide)
Paratuf
Parataf
Yphos
ME 605
Probel MP 2
ME 1605
Me 605SP
Folidol 600
Methyl 1605
Folidol M 50
Metacid 50
Metacid
Morphos
Methyl Bladan
Bravik
Bravik 600CE
Mentox 600CE
Methyl 4E
Parathion M
Folisuper 600BR
Methion 48EC
Azophos (pesticide)
Identifiers:
SMILES:
COP(=S)(OC)Oc1ccc([N+](=O)[O-])cc1
InChI:
InChI=1S/C8H10NO5PS/c1-12-15(16,13-2)14-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3
Key Properties
Boiling Point
154 °C @ Press: 1.02 Torr
CAS Common Chemistry
Melting Point
35-36 °C
CAS Common Chemistry
Density
1.36 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 | 263.21 g/mol | CAS Common Chemistry |
| 263.21099999999996 g/mol | RDKit | |
| 263.00173005 g/mol | RDKit | |
| Density | 1.36 g/cm³ | CAS Common Chemistry |
| 1.358 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Parathion_methyl | CAS Common Chemistry |
| Boiling Point | 154 °C @ Press: 1.02 Torr | CAS Common Chemistry |
| Canonical SMILES | O=N(=O)C1=CC=C(OP(=S)(OC)OC)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H10NO5PS/c1-12-15(16,13-2)14-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RLBIQVVOMOPOHC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 35-36 °C | CAS Common Chemistry |
| Name | Parathion-methyl | CAS Common Chemistry |
| Parathion methyl | CAS Common Chemistry | |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 70.83 Ų | RDKit |
| LogP | 2.4909 | RDKit |
| Molar Refractivity | 62.027400000000014 | RDKit |
