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Tributyltetradecylphosphonium Chloride
CAS: 81741-28-8 | C26H56ClP
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
81741-28-8
Molecular Formula:
C26H56ClP
Molecular Mass:
435.16 g/mol
Names and Synonyms:
Tributyltetradecylphosphonium Chloride
Phosphonium, tributyltetradecyl-, chloride (1:1)
Phosphonium, tributyltetradecyl-, chloride
Tributyltetradecylphosphonium chloride
Belclene 350
Cyphos IL 167
Bellacide 350
Tetradecyltributylphosphonium chloride
Bellacide 355
Identifiers:
SMILES:
CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.[Cl-]
InChI:
InChI=1S/C26H56P.ClH/c1-5-9-13-14-15-16-17-18-19-20-21-22-26-27(23-10-6-2,24-11-7-3)25-12-8-4;/h5-26H2,1-4H3;1H/q+1;/p-1
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 | 435.16 g/mol | CAS Common Chemistry |
| 435.1610000000003 g/mol | RDKit | |
| 434.380816102 g/mol | RDKit | |
| Canonical SMILES | [Cl-].CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C26H56P.ClH/c1-5-9-13-14-15-16-17-18-19-20-21-22-26-27(23-10-6-2,24-11-7-3)25-12-8-4;/h5-26H2,1-4H3;1H/q+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=AKUNSPZHHSNFFX-UHFFFAOYSA-M | CAS Common Chemistry |
| Name | Tributyltetradecylphosphonium chloride | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 22 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 7.109400000000008 | RDKit |
| Molar Refractivity | 132.19000000000008 | RDKit |
