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Chlorodicyclohexylphosphine
CAS: 16523-54-9 | C12H22ClP
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
16523-54-9
Molecular Formula:
C12H22ClP
Molecular Mass:
232.74 g/mol
Names and Synonyms:
Chlorodicyclohexylphosphine
Phosphinous chloride, P,P-dicyclohexyl-
Phosphinous chloride, dicyclohexyl-
P,P-Dicyclohexylphosphinous chloride
Chlorodicyclohexylphosphine
Dicyclohexylchlorophosphine
Dicyclohexylphosphinous chloride
Dicyclohexylphosphorus chloride
Dicyclohexylphosphine chloride
Identifiers:
SMILES:
ClP(C1CCCCC1)C1CCCCC1
InChI:
InChI=1S/C12H22ClP/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2
Key Properties
Boiling Point
182-183 °C @ Press: 23 Torr
CAS Common Chemistry
Melting Point
126-128 °C
CAS Common Chemistry
Density
1.09 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 | 232.74 g/mol | CAS Common Chemistry |
| 232.73499999999993 g/mol | RDKit | |
| 232.114765014 g/mol | RDKit | |
| Density | 1.09 g/cm³ | CAS Common Chemistry |
| 1.0923 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 182-183 °C @ Press: 23 Torr | CAS Common Chemistry |
| Canonical SMILES | ClP(C1CCCCC1)C2CCCCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H22ClP/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=AKJFBIZAEPTXIL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 126-128 °C | CAS Common Chemistry |
| Name | Chlorodicyclohexylphosphine | CAS Common Chemistry |
| Heavy Atom Count | 14 | 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 | 5.287500000000004 | RDKit |
| Molar Refractivity | 66.51900000000005 | RDKit |
