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Molecule
Dimethylamidophosphoric Dichloride
CAS: 677-43-0 · C2H6Cl2NOP
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 677-43-0
- Molecular Formula
- C2H6Cl2NOP
- Molecular Mass
- 161.96 g/mol
Identifiers
CAS Registry Number
677-43-0
SMILES
CN(C)P(=O)(Cl)Cl
InChI Key
YNHXBEVSSILHPI-UHFFFAOYSA-N
InChI
InChI=1S/C2H6Cl2NOP/c1-5(2)7(3,4)6/h1-2H3
Names and Synonyms
- Dimethylamidophosphoric Dichloride Synonym
- Phosphoramidic dichloride, N,N-dimethyl- Synonym
- Phosphoramidic dichloride, dimethyl- Synonym
- N,N-Dimethylphosphoramidic dichloride Synonym
- Dimethylamidophosphoric acid dichloride Synonym
- Dimethylphosphoramidic dichloride Synonym
- Dichlorophosphoric dimethylamide Synonym
- (Dimethylamido)phosphoric dichloride Synonym
- Dimethylphosphorodichloridic amide Synonym
- Dichloro(dimethylamino)phosphine oxide Synonym
- NSC 203138 Synonym
- N,N-Dimethylaminophosphoryl dichloride Synonym
- (Dimethylamino)phosphoric dichloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 161.96 g/mol | CAS Common Chemistry |
| 161.95600000000002 g/mol | RDKit | |
| 161.956 g/mol | RDKit | |
| 161.95 g/mol | chempirical lib | |
| Density | 1.35 g/cm³ | CAS Common Chemistry |
| 1.3500 g/cm3; Press: 4 Torr @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dimethylamidophosphoric_dichloride | CAS Common Chemistry |
| Canonical SMILES | O=P(Cl)(Cl)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H6Cl2NOP/c1-5(2)7(3,4)6/h1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YNHXBEVSSILHPI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Dimethylphosphoramidic dichloride | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
| 20.31 Ų | RDKit | |
| LogP | 2.1337 | RDKit |
| 1.93 | chempirical lib | |
| Molar Refractivity | 32.99949999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 160.956405802 g/mol | RDKit |
| Boiling Point | 80-82 °C @ 18 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
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| 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 = 161.96 g/mol; density = 1.350 g/mL. Edit any field — others recompute live.
