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Molecule
Tributyltetradecylphosphonium Chloride
CAS: 81741-28-8 · C26H56ClP
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 81741-28-8
- Molecular Formula
- C26H56ClP
- Molecular Mass
- 435.16 g/mol
Identifiers
CAS Registry Number
81741-28-8
SMILES
CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.[Cl-]
InChI Key
AKUNSPZHHSNFFX-UHFFFAOYSA-M
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
Names and Synonyms
- Tributyltetradecylphosphonium Chloride Synonym
- Phosphonium, tributyltetradecyl-, chloride (1:1) Synonym
- Phosphonium, tributyltetradecyl-, chloride Synonym
- Tributyltetradecylphosphonium chloride Synonym
- Belclene 350 Synonym
- Cyphos IL 167 Synonym
- Bellacide 350 Synonym
- Tetradecyltributylphosphonium chloride Synonym
- Bellacide 355 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 435.16 g/mol | CAS Common Chemistry |
| 435.1610000000003 g/mol | RDKit | |
| 435.161 g/mol | RDKit | |
| 435.158 g/mol | chempirical lib | |
| 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 |
| 7.1094 | RDKit | |
| Molar Refractivity | 132.19000000000008 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 434.380816102 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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 = 435.16 g/mol. Edit any field — others recompute live.
