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Molecule
Bis(Diethylamino)Chlorophosphine
CAS: 685-83-6 · C8H20ClN2P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 685-83-6
- Molecular Formula
- C8H20ClN2P
- Molecular Mass
- 210.69 g/mol
Identifiers
CAS Registry Number
685-83-6
SMILES
CCN(CC)P(Cl)N(CC)CC
InChI Key
JVEHJSIFWIIFHM-UHFFFAOYSA-N
InChI
InChI=1S/C8H20ClN2P/c1-5-10(6-2)12(9)11(7-3)8-4/h5-8H2,1-4H3
Names and Synonyms
- Bis(Diethylamino)Chlorophosphine Common Name
- Phosphorodiamidous chloride, N,N,N′,N′-tetraethyl- Synonym
- Phosphorodiamidous chloride, tetraethyl- Synonym
- N,N,N′,N′-Tetraethylphosphorodiamidous chloride Synonym
- Tetraethylphosphorodiamidous chloride Synonym
- Bis(diethylamino)chlorophosphine Synonym
- Tetraethyldiamidophosphorous chloride Synonym
- Chlorobis(diethylamino)phosphine Synonym
- Tetraethyldiaminochlorophosphite Synonym
- Bis(N,N-diethylamino)chlorophosphine Synonym
- Bis(diethylamino)chlorophosphane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 210.69 g/mol | CAS Common Chemistry |
| 210.68899999999996 g/mol | RDKit | |
| 210.689 g/mol | RDKit | |
| 210.686 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Bis(diethylamino)chlorophosphine | CAS Common Chemistry |
| Canonical SMILES | ClP(N(CC)CC)N(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C8H20ClN2P/c1-5-10(6-2)12(9)11(7-3)8-4/h5-8H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JVEHJSIFWIIFHM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Chlorobis(diethylamino)phosphine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 6.48 Ų | RDKit |
| LogP | 3.1357000000000017 | RDKit |
| 3.1357 | RDKit | |
| Molar Refractivity | 58.615000000000045 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 210.10526295 g/mol | RDKit |
| Boiling Point | 87-90 °C @ 2 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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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 = 210.69 g/mol. Edit any field — others recompute live.
