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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
Names and Synonyms:
Dimethylamidophosphoric Dichloride
Phosphoramidic dichloride, N,N-dimethyl-
Phosphoramidic dichloride, dimethyl-
N,N-Dimethylphosphoramidic dichloride
Dimethylamidophosphoric acid dichloride
Dimethylphosphoramidic dichloride
Dichlorophosphoric dimethylamide
(Dimethylamido)phosphoric dichloride
Dimethylphosphorodichloridic amide
Dichloro(dimethylamino)phosphine oxide
NSC 203138
N,N-Dimethylaminophosphoryl dichloride
(Dimethylamino)phosphoric dichloride
Identifiers:
SMILES:
CN(C)P(=O)(Cl)Cl
InChI:
InChI=1S/C2H6Cl2NOP/c1-5(2)7(3,4)6/h1-2H3
Key Properties
Boiling Point
80-82 °C @ Press: 18 Torr
CAS Common Chemistry
Density
1.35 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 | 161.96 g/mol | CAS Common Chemistry |
| 161.95600000000002 g/mol | RDKit | |
| 160.956405802 g/mol | RDKit | |
| Density | 1.35 g/cm³ | CAS Common Chemistry |
| 1.3500 g/cm3 @ Temp: 20 °C; Press: 4 Torr | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dimethylamidophosphoric_dichloride | CAS Common Chemistry |
| Boiling Point | 80-82 °C @ Press: 18 Torr | 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 |
| Dimethylamidophosphoric 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 |
| LogP | 2.1337 | RDKit |
| Molar Refractivity | 32.99949999999999 | RDKit |
