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Molecule
Chloro(Triphenylphosphine)Gold(I)
CAS: 14243-64-2 · C18H15AuClP
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14243-64-2
- Molecular Formula
- C18H15AuClP
- Molecular Mass
- 494.71 g/mol
Identifiers
CAS Registry Number
14243-64-2
SMILES
[Au+].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChI Key
IFPWCRBNZXUWGC-UHFFFAOYSA-M
InChI
InChI=1S/C18H15P.Au.ClH/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h1-15H;;1H/q;+1;/p-1
Names and Synonyms
- Chloro(Triphenylphosphine)Gold(I) Common Name
- PPh3AuCl Synonym
- AuCl(PPh3) Synonym
- Gold, chloro(triphenylphosphine)- Synonym
- Chloro(triphenylphosphine)gold Synonym
- Triphenylphosphine gold chloride complex ((C6H5)3P.AuCl) Synonym
- (Triphenylphosphine)gold chloride Synonym
- Triphenylphosphineaurous chloride Synonym
- (Triphenylphosphine)gold(1+) monochloride Synonym
- SKF 40738 Synonym
- (Triphenylphosphine)gold monochloride Synonym
- Chloro(triphenylphosphine)gold(I) Synonym
- (Triphenylphosphine)gold(I) chloride Synonym
- Triphenylphosphinechlorogold Synonym
- NSC 306388 Synonym
- AuPPh3Cl Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 494.71 g/mol | CAS Common Chemistry |
| 494.71200000000016 g/mol | RDKit | |
| 494.712 g/mol | RDKit | |
| 496.725 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Chloro(triphenylphosphine)gold(I) | CAS Common Chemistry |
| Canonical SMILES | [Cl-][Au+][P](C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C18H15P.Au.ClH/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h1-15H;;1H/q;+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=IFPWCRBNZXUWGC-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 236-240 °C | CAS Common Chemistry |
| Name | Chloro(triphenylphosphine)gold | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 0.4463000000000015 | RDKit |
| 0.4463 | RDKit | |
| Molar Refractivity | 85.14800000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 494.02655849 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.
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MW = 494.71 g/mol. Edit any field — others recompute live.
