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Monocrotophos
CAS: 6923-22-4 | C7H14NO5P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6923-22-4
Molecular Formula:
C7H14NO5P
Molecular Mass:
223.16 g/mol
Names and Synonyms:
Monocrotophos
Phosphoric acid, dimethyl (1E)-1-methyl-3-(methylamino)-3-oxo-1-propen-1-yl ester
Phosphoric acid, dimethyl ester, ester with 3-hydroxy-N-methylcrotonamide, (E)-
Phosphoric acid, dimethyl 1-methyl-3-(methylamino)-3-oxo-1-propenyl ester, (E)-
Phosphoric acid, dimethyl (1E)-1-methyl-3-(methylamino)-3-oxo-1-propenyl ester
C 1414
Azodrin
Nuvacron
SD 9129
Monocrotophos
Monochrotophos
3-Hydroxy-N-methyl-cis-crotonamide dimethyl phosphate
Nuvacron 20
Monocil 40
Corophos
Croton 36
Monocil
Monicil
Monostar
Monocron
Azodrin 60
Parryfos
Apadrin
Monocos
Nuvacron 36SL
Azodrin 202R
Kadett 36
Kadett
Monokrotofos
Sufos
Monodhan
Devi
Phytofos
Identifiers:
SMILES:
CN=C(O)/C=C(C)OP(=O)(OC)OC
InChI:
InChI=1S/C7H14NO5P/c1-6(5-7(9)8-2)13-14(10,11-3)12-4/h5H,1-4H3,(H,8,9)/b6-5+
Key Properties
Boiling Point
125 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
54-55 °C
CAS Common Chemistry
Density
122.00 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 | 223.16 g/mol | CAS Common Chemistry |
| 223.16499999999996 g/mol | RDKit | |
| 223.060959178 g/mol | RDKit | |
| Density | 122.00 g/cm³ | CAS Common Chemistry |
| 122 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Monocrotophos | CAS Common Chemistry |
| Boiling Point | 125 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(C=C(OP(=O)(OC)OC)C)NC | CAS Common Chemistry |
| InChI | InChI=1S/C7H14NO5P/c1-6(5-7(9)8-2)13-14(10,11-3)12-4/h5H,1-4H3,(H,8,9)/b6-5+ | CAS Common Chemistry |
| InChI Key | InChIKey=KRTSDMXIXPKRQR-AATRIKPKSA-N | CAS Common Chemistry |
| Melting Point | 54-55 °C | CAS Common Chemistry |
| Name | Monocrotophos | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 77.35000000000001 Ų | RDKit |
| LogP | 1.894 | RDKit |
| Molar Refractivity | 52.45430000000003 | RDKit |
