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Chlorobis(Dimethylamino)Phosphine
CAS: 3348-44-5 | C4H12ClN2P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3348-44-5
Molecular Formula:
C4H12ClN2P
Molecular Weight:
154.58100000000002 g/mol
Names and Synonyms:
Chlorobis(Dimethylamino)Phosphine
Phosphorodiamidous chloride, N,N,N′,N′-tetramethyl-
Tetramethyldiaminochlorophosphine
Chlorobis(dimethylamino)phosphine
Tetramethylphosphorodiamidous chloride
Bis(dimethylamino)phosphorus chloride
Bis(dimethylamino)chlorophosphine
Tetramethyldiamidophosphorous chloride
[Chloro(dimethylamino)phosphanyl]dimethylamine
Phosphorodiamidous chloride, tetramethyl-
N,N,N′,N′-Tetramethylphosphorodiamidous chloride
Identifiers:
SMILES:
CN(C)P(Cl)N(C)C
InChI:
InChI=1S/C4H12ClN2P/c1-6(2)8(5)7(3)4/h1-4H3
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 154.58 g/mol | Legacy Database |
| density | 1.06 g/cm³ | Legacy Database | |
| cas-boiling-point | 29 °C @ Press: 1 Torr | Legacy Database | |
| cas-canonical-smile | ClP(N(C)C)N(C)C | Legacy Database | |
| cas-density | 1.06 g/cm3 @ Temp: 20 °C | Legacy Database | |
| cas-inchi | InChI=1S/C4H12ClN2P/c1-6(2)8(5)7(3)4/h1-4H3 | Legacy Database | |
| cas-inchi-key | InChIKey=MAJFLEHNBOUSIY-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | -33 °C | Legacy Database | |
| cas-name | Chlorobis(dimethylamino)phosphine | Legacy Database | |
| LogP | 1.5753 | RDKit | |
| Molecular | Molecular Weight | 154.58100000000002 g/mol | RDKit |
| Exact | Exact Molecular Weight | 154.042662694 g/mol | RDKit |
| Heavy | Heavy Atom Count | 8 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 2 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 6.48 Ų | RDKit |
| Molar | Molar Refractivity | 40.14700000000001 | RDKit |
