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Chloro(Triphenylphosphine)Gold(I)
CAS: 14243-64-2 | C18H15AuClP
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14243-64-2
Molecular Formula:
C18H15AuClP
Molecular Mass:
494.71 g/mol
Names and Synonyms:
Chloro(Triphenylphosphine)Gold(I)
Gold, chloro(triphenylphosphine)-
Chloro(triphenylphosphine)gold
Triphenylphosphine gold chloride complex ((C6H5)3P.AuCl)
(Triphenylphosphine)gold chloride
Triphenylphosphineaurous chloride
(Triphenylphosphine)gold(1+) monochloride
SKF 40738
(Triphenylphosphine)gold monochloride
Chloro(triphenylphosphine)gold(I)
(Triphenylphosphine)gold(I) chloride
Triphenylphosphinechlorogold
NSC 306388
AuPPh3Cl
PPh3AuCl
AuCl(PPh3)
Identifiers:
SMILES:
[Au+].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
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
Key Properties
Melting Point
236-240 °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 | 494.71 g/mol | CAS Common Chemistry |
| 494.71200000000016 g/mol | RDKit | |
| 494.02655849 g/mol | RDKit | |
| 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 |
| Chloro(triphenylphosphine)gold(I) | 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 |
| Molar Refractivity | 85.14800000000004 | RDKit |
