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Parathion
CAS: 56-38-2 | C10H14NO5PS
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
56-38-2
Molecular Formula:
C10H14NO5PS
Molecular Mass:
291.27 g/mol
Names and Synonyms:
Parathion
Phosphorothioic acid, O,O-diethyl O-(4-nitrophenyl) ester
Phosphorothioic acid, O,O-diethyl O-(p-nitrophenyl) ester
E 605
ENT 15108
AAT
AATP
Alkron
American Cyanamid 3422
Aphamite
Bayer E-605
Bladan F
O,O-Diethyl O-(p-nitrophenyl) phosphorothioate
O,O-Diethyl O-(4-nitrophenyl) phosphorothioate
Diethyl 4-nitrophenyl phosphorothioate
Diethyl p-nitrophenyl thionophosphate
O,O-Diethyl O-p-nitrophenyl thiophosphate
DNTP
Ekatox
Ethyl parathion
Etilon
Niran
Nitrostigmine
Oleoparathion
Paraphos
Parathion
RB
Thiophos 3422
Thiophos
Folidol
Lirothion
Nourithion
Paramar 50
Rhodiatox
Oleofos 20
Parathion-ethyl
Diethyl p-nitrophenyl phosphorothionate
Diethyl parathion
Folidol oil
NIUIF 100
E 605F
Folidol E
Folidol E-605
Fosferno
Rhodiasol
Alleron
Oleoparathene
Pacol
Aralo
Gearphos
Vitrex
Super Rodiatox
Fostox
Penncap E
Selephos
Parathene
Thiomex
Ecatox 20
Ekatox 20
E 605FT20
BAY 1605
NSC 8933
Galpar
Parathion A
Phospherno
Identifiers:
SMILES:
CCOP(=S)(OCC)Oc1ccc([N+](=O)[O-])cc1
InChI:
InChI=1S/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
Key Properties
Boiling Point
375 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
6.1 °C
CAS Common Chemistry
Density
1.26 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 | 291.27 g/mol | CAS Common Chemistry |
| 291.265 g/mol | RDKit | |
| 291.033030178 g/mol | RDKit | |
| Density | 1.26 g/cm³ | CAS Common Chemistry |
| 1.26 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Parathion | CAS Common Chemistry |
| Boiling Point | 375 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | O=N(=O)C1=CC=C(OP(=S)(OCC)OCC)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LCCNCVORNKJIRZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 6.1 °C | CAS Common Chemistry |
| Name | Parathion | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 70.83 Ų | RDKit |
| LogP | 3.2711000000000023 | RDKit |
| Molar Refractivity | 71.26140000000002 | RDKit |
