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Molecule
Chlorodiisopropylphosphine
CAS: 40244-90-4 · C6H14ClP
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 40244-90-4
- Molecular Formula
- C6H14ClP
- Molecular Mass
- 152.61 g/mol
Identifiers
CAS Registry Number
40244-90-4
SMILES
CC(C)P(Cl)C(C)C
InChI Key
JZPDBTOWHLZQFC-UHFFFAOYSA-N
InChI
InChI=1S/C6H14ClP/c1-5(2)8(7)6(3)4/h5-6H,1-4H3
Names and Synonyms
- Chlorodiisopropylphosphine Synonym
- Phosphinous chloride, P,P-bis(1-methylethyl)- Synonym
- Phosphinous chloride, bis(1-methylethyl)- Synonym
- Phosphinous chloride, diisopropyl- Synonym
- P,P-Bis(1-methylethyl)phosphinous chloride Synonym
- Chlorodiisopropylphosphine Synonym
- Diisopropylchlorophosphine Synonym
- Diisopropylphosphinyl chloride Synonym
- Diisopropylphosphinous chloride Synonym
- Chlorobis(isopropyl)phosphine Synonym
- Diisopropylphosphine chloride Synonym
- Bis(1-methylethyl)phosphinous chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 152.61 g/mol | CAS Common Chemistry |
| 152.605 g/mol | RDKit | |
| 152.602 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Chlorodiisopropylphosphine | CAS Common Chemistry |
| Canonical SMILES | ClP(C(C)C)C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H14ClP/c1-5(2)8(7)6(3)4/h5-6H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JZPDBTOWHLZQFC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Chlorodiisopropylphosphine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.438900000000002 | RDKit |
| 3.4389 | RDKit | |
| 3.57 | chempirical lib | |
| Molar Refractivity | 43.045000000000016 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 152.052164758 g/mol | RDKit |
| Boiling Point | 55-60 °C @ 10 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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40
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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 = 152.61 g/mol. Edit any field — others recompute live.
