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Naled
CAS: 300-76-5 | C4H7Br2Cl2O4P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
300-76-5
Molecular Formula:
C4H7Br2Cl2O4P
Molecular Mass:
380.78 g/mol
Names and Synonyms:
Naled
Phosphoric acid, 1,2-dibromo-2,2-dichloroethyl dimethyl ester
Ethanol, 1,2-dibromo-2,2-dichloro-, dimethyl phosphate
RE 4355
ENT 24988
Dibrom
Naled
Bromex
O,O-Dimethyl O-(1,2-dibromo-2,2-dichloroethyl) phosphate
Bromex 50
Dimethyl 1,2-dibromo-2,2-dichloroethyl phosphate
Dibromfos
1,2-Dibromo-2,2-dichloroethyl dimethyl phosphate
Alvora
Fosbrom
Bromex (insecticide)
BRP
Bromchlophos
Flibol Ex
Trumpet
Dibrom 8 Emulsive
Dibrom 8
Identifiers:
SMILES:
COP(=O)(OC)OC(Br)C(Cl)(Cl)Br
InChI:
InChI=1S/C4H7Br2Cl2O4P/c1-10-13(9,11-2)12-3(5)4(6,7)8/h3H,1-2H3
Key Properties
Boiling Point
110 °C @ Press: 0.50 Torr
CAS Common Chemistry
Melting Point
26.5-27.5 °C
CAS Common Chemistry
Density
1.96 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 | 380.78 g/mol | CAS Common Chemistry |
| 380.784 g/mol | RDKit | |
| 377.782574894 g/mol | RDKit | |
| Density | 1.96 g/cm³ | CAS Common Chemistry |
| 1.96 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Naled | CAS Common Chemistry |
| Boiling Point | 110 °C @ Press: 0.50 Torr | CAS Common Chemistry |
| Canonical SMILES | O=P(OC)(OC)OC(Br)C(Cl)(Cl)Br | CAS Common Chemistry |
| InChI | InChI=1S/C4H7Br2Cl2O4P/c1-10-13(9,11-2)12-3(5)4(6,7)8/h3H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BUYMVQAILCEWRR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 26.5-27.5 °C | CAS Common Chemistry |
| Name | Naled | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 44.760000000000005 Ų | RDKit |
| LogP | 3.651200000000001 | RDKit |
| Molar Refractivity | 58.78850000000002 | RDKit |
