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Parathion Methyl
CAS: 298-00-0 | C8H10NO5PS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 298-00-0
- Molecular Formula
- C8H10NO5PS
- Molecular Mass
- 263.21 g/mol
Identifiers
CAS Registry Number
298-00-0
SMILES
COP(=S)(OC)Oc1ccc([N+](=O)[O-])cc1
InChI Key
RLBIQVVOMOPOHC-UHFFFAOYSA-N
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
Names and Synonyms
- Parathion Methyl Synonym
- Phosphorothioic acid, O,O-dimethyl O-(4-nitrophenyl) ester Synonym
- Phosphorothioic acid, O,O-dimethyl O-(p-nitrophenyl) ester Synonym
- 8056HC Synonym
- Dalf Synonym
- O,O-Dimethyl O-(p-nitrophenyl) phosphorothioate Synonym
- O,O-Dimethyl O-(4-nitrophenyl) phosphorothioate Synonym
- Dimethyl 4-nitrophenyl phosphorothioate Synonym
- O,O-Dimethyl O-(p-nitrophenyl) thiophosphate Synonym
- Dimethyl p-nitrophenyl thiophosphate Synonym
- O,O-Dimethyl O-(4-nitrophenyl) thiophosphate Synonym
- Metacide Synonym
- Metaphos Synonym
- Methyl E 605 Synonym
- Methyl parathion Synonym
- Nitrox 80 Synonym
- Nitrox Synonym
- M-Parathion Synonym
- Wofatox Synonym
- Azofos Synonym
- BAY 11405 Synonym
- Parathion-methyl Synonym
- Thiophenit Synonym
- Vofatox Synonym
- Azophos Synonym
- Dimethyl parathion Synonym
- Methylthiophos Synonym
- Metron Synonym
- Metron (pesticide) Synonym
- Dimethyl p-nitrophenyl phosphorothionate Synonym
- Folidol M Synonym
- Folidol M 40 Synonym
- Parathion methyl homolog Synonym
- Sinafid M 48 Synonym
- Meptox Synonym
- Penncap M Synonym
- Demethylfenitrothion Synonym
- Metafos Synonym
- Metafos (pesticide) Synonym
- Penncap MLS Synonym
- Oleovofotox Synonym
- Quinophos Synonym
- Metacide (insecticide) Synonym
- Paratuf Synonym
- Parataf Synonym
- Yphos Synonym
- ME 605 Synonym
- Probel MP 2 Synonym
- ME 1605 Synonym
- Me 605SP Synonym
- Folidol 600 Synonym
- Methyl 1605 Synonym
- Folidol M 50 Synonym
- Metacid 50 Synonym
- Metacid Synonym
- Morphos Synonym
- Methyl Bladan Synonym
- Bravik Synonym
- Bravik 600CE Synonym
- Mentox 600CE Synonym
- Methyl 4E Synonym
- Parathion M Synonym
- Folisuper 600BR Synonym
- Methion 48EC Synonym
- Azophos (pesticide) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 263.21 g/mol | CAS Common Chemistry |
| 263.21099999999996 g/mol | RDKit | |
| 263.211 g/mol | RDKit | |
| 263.204 g/mol | chempirical lib | |
| Density | 1.36 g/cm³ | CAS Common Chemistry |
| 1.358 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Parathion_methyl | 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 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 263.00173005 g/mol | RDKit |
| Boiling Point | 154 °C @ 1.02 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
