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Chlorodiisopropylphosphine
CAS: 40244-90-4 | C6H14ClP
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
40244-90-4
Molecular Formula:
C6H14ClP
Molecular Weight:
152.605 g/mol
Names and Synonyms:
Chlorodiisopropylphosphine
Phosphinous chloride, P,P-bis(1-methylethyl)-
Phosphinous chloride, bis(1-methylethyl)-
Phosphinous chloride, diisopropyl-
P,P-Bis(1-methylethyl)phosphinous chloride
Chlorodiisopropylphosphine
Diisopropylchlorophosphine
Diisopropylphosphinyl chloride
Diisopropylphosphinous chloride
Chlorobis(isopropyl)phosphine
Diisopropylphosphine chloride
Bis(1-methylethyl)phosphinous chloride
Identifiers:
SMILES:
CC(C)P(Cl)C(C)C
InChI:
InChI=1S/C6H14ClP/c1-5(2)8(7)6(3)4/h5-6H,1-4H3
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 | 152.61 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Chlorodiisopropylphosphine | Legacy Database | |
| cas-boiling-point | 55-60 °C @ Press: 10 Torr | Legacy Database | |
| cas-canonical-smile | ClP(C(C)C)C(C)C | Legacy Database | |
| cas-inchi | InChI=1S/C6H14ClP/c1-5(2)8(7)6(3)4/h5-6H,1-4H3 | Legacy Database | |
| cas-inchi-key | InChIKey=JZPDBTOWHLZQFC-UHFFFAOYSA-N | Legacy Database | |
| cas-name | Chlorodiisopropylphosphine | Legacy Database | |
| wikipedia-name | Chlorodiisopropylphosphine | Legacy Database | |
| LogP | 3.438900000000002 | RDKit | |
| Molecular | Molecular Weight | 152.605 g/mol | RDKit |
| Exact | Exact Molecular Weight | 152.052164758 g/mol | RDKit |
| Heavy | Heavy Atom Count | 8 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 0 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 | 0.0 Ų | RDKit |
| Molar | Molar Refractivity | 43.045000000000016 | RDKit |
