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Dichlorotriphenylantimony
CAS: 594-31-0 | C18H15Cl2Sb
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
594-31-0
Molecular Formula:
C18H15Cl2Sb
Molecular Mass:
423.98 g/mol
Names and Synonyms:
Dichlorotriphenylantimony
Antimony, dichlorotriphenyl-
Stibine, triphenyl-, dichloride
Dichlorotriphenylantimony
Dichlorotriphenylstibine
Triphenylantimony dichloride
Triphenylstibine dichloride
Dichlorotriphenylstiborane
NSC 179782
NSC 432
Triphenylantimony(V) dichloride
Identifiers:
SMILES:
[Cl-].[Cl-].[Sb+2].[c]1ccccc1.[c]1ccccc1.[c]1ccccc1
InChI:
InChI=1S/3C6H5.2ClH.Sb/c3*1-2-4-6-5-3-1;;;/h3*1-5H;2*1H;/q;;;;;+2/p-2
Key Properties
Melting Point
143-145 °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 | 423.98 g/mol | CAS Common Chemistry |
| 423.9840000000001 g/mol | RDKit | |
| 421.95889654 g/mol | RDKit | |
| Canonical SMILES | Cl[Sb](Cl)(C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/3C6H5.2ClH.Sb/c3*1-2-4-6-5-3-1;;;/h3*1-5H;2*1H;/q;;;;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=PDGPVQHGCLPCES-UHFFFAOYSA-L | CAS Common Chemistry |
| Melting Point | 143-145 °C | CAS Common Chemistry |
| Name | Dichlorotriphenylantimony | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | -1.9124299999999945 | RDKit |
| Molar Refractivity | 81.58800000000005 | RDKit |
