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Molecule
Phosphonium, (1-Naphthalenylmethyl)Triphenyl-, Chloride (1:1)
CAS: 23277-00-1 · C29H24ClP
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 23277-00-1
- Molecular Formula
- C29H24ClP
- Molecular Mass
- 438.94 g/mol
Identifiers
CAS Registry Number
23277-00-1
SMILES
[Cl-].c1ccc([P+](Cc2cccc3ccccc23)(c2ccccc2)c2ccccc2)cc1
InChI Key
MOYSMPXSEXYEJV-UHFFFAOYSA-M
InChI
InChI=1S/C29H24P.ClH/c1-4-16-26(17-5-1)30(27-18-6-2-7-19-27,28-20-8-3-9-21-28)23-25-15-12-14-24-13-10-11-22-29(24)25;/h1-22H,23H2;1H/q+1;/p-1
Names and Synonyms
- Phosphonium, (1-Naphthalenylmethyl)Triphenyl-, Chloride (1:1) Systematic Name
- Phosphonium, (1-naphthalenylmethyl)triphenyl-, chloride (1:1) Synonym
- Phosphonium, (1-naphthylmethyl)triphenyl-, chloride Synonym
- Phosphonium, (1-naphthalenylmethyl)triphenyl-, chloride Synonym
- 1-Naphthylmethyltriphenylphosphonium chloride Synonym
- FS 1 Synonym
- FS 1 (vulcanization accelerator) Synonym
- (1-Naphthalenemethyl)triphenylphosphonium chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 438.94 g/mol | CAS Common Chemistry |
| 438.93800000000016 g/mol | RDKit | |
| 438.938 g/mol | RDKit | |
| 438.935 g/mol | chempirical lib | |
| Canonical SMILES | [Cl-].C=1C=CC(=CC1)[P+](C=2C=CC=CC2)(C=3C=CC=CC3)CC4=CC=CC=5C=CC=CC54 | CAS Common Chemistry |
| InChI | InChI=1S/C29H24P.ClH/c1-4-16-26(17-5-1)30(27-18-6-2-7-19-27,28-20-8-3-9-21-28)23-25-15-12-14-24-13-10-11-22-29(24)25;/h1-22H,23H2;1H/q+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=MOYSMPXSEXYEJV-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 290-291.5 °C | CAS Common Chemistry |
| Name | Phosphonium, (1-naphthalenylmethyl)triphenyl-, chloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 31 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 5 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.337900000000002 | RDKit |
| 3.3379 | RDKit | |
| Molar Refractivity | 132.79999999999993 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0345 | RDKit |
| Exact Mass | 438.130415078 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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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.
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MW = 438.94 g/mol. Edit any field — others recompute live.
