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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
Names and Synonyms:
Phosphonium, (1-Naphthalenylmethyl)Triphenyl-, Chloride (1:1)
Phosphonium, (1-naphthalenylmethyl)triphenyl-, chloride (1:1)
Phosphonium, (1-naphthylmethyl)triphenyl-, chloride
Phosphonium, (1-naphthalenylmethyl)triphenyl-, chloride
1-Naphthylmethyltriphenylphosphonium chloride
FS 1
FS 1 (vulcanization accelerator)
(1-Naphthalenemethyl)triphenylphosphonium chloride
Identifiers:
SMILES:
[Cl-].c1ccc([P+](Cc2cccc3ccccc23)(c2ccccc2)c2ccccc2)cc1
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
Key Properties
Melting Point
290-291.5 °C
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 | 438.94 g/mol | CAS Common Chemistry |
| 438.93800000000016 g/mol | RDKit | |
| 438.130415078 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 132.79999999999993 | RDKit |
