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Molecule
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
Identifiers
CAS Registry Number
300-76-5
SMILES
COP(=O)(OC)OC(Br)C(Cl)(Cl)Br
InChI Key
BUYMVQAILCEWRR-UHFFFAOYSA-N
InChI
InChI=1S/C4H7Br2Cl2O4P/c1-10-13(9,11-2)12-3(5)4(6,7)8/h3H,1-2H3
Names and Synonyms
- Naled Synonym
- Phosphoric acid, 1,2-dibromo-2,2-dichloroethyl dimethyl ester Synonym
- Ethanol, 1,2-dibromo-2,2-dichloro-, dimethyl phosphate Synonym
- RE 4355 Synonym
- ENT 24988 Synonym
- Dibrom Synonym
- Naled Synonym
- Bromex Synonym
- O,O-Dimethyl O-(1,2-dibromo-2,2-dichloroethyl) phosphate Synonym
- Bromex 50 Synonym
- Dimethyl 1,2-dibromo-2,2-dichloroethyl phosphate Synonym
- Dibromfos Synonym
- 1,2-Dibromo-2,2-dichloroethyl dimethyl phosphate Synonym
- Alvora Synonym
- Fosbrom Synonym
- Bromex (insecticide) Synonym
- BRP Synonym
- Bromchlophos Synonym
- Flibol Ex Synonym
- Trumpet Synonym
- Dibrom 8 Emulsive Synonym
- Dibrom 8 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 380.78 g/mol | CAS Common Chemistry |
| 380.784 g/mol | RDKit | |
| 380.778 g/mol | chempirical lib | |
| Density | 1.96 g/cm³ | CAS Common Chemistry |
| 1.96 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Naled | 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 |
| 44.76 Ų | RDKit | |
| LogP | 3.651200000000001 | RDKit |
| 3.6512 | RDKit | |
| 3.72 | chempirical lib | |
| Molar Refractivity | 58.78850000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 377.782574894 g/mol | RDKit |
| Boiling Point | 110 °C @ 0.50 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.
External Resources
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MW = 380.78 g/mol; density = 1.960 g/mL. Edit any field — others recompute live.
