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Molecule
Dichlorotriphenylantimony
CAS: 594-31-0 · C18H15Cl2Sb
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 594-31-0
- Molecular Formula
- C18H15Cl2Sb
- Molecular Mass
- 423.98 g/mol
Identifiers
CAS Registry Number
594-31-0
SMILES
[Cl-].[Cl-].[Sb+2].[c]1ccccc1.[c]1ccccc1.[c]1ccccc1
InChI Key
PDGPVQHGCLPCES-UHFFFAOYSA-L
InChI
InChI=1S/3C6H5.2ClH.Sb/c3*1-2-4-6-5-3-1;;;/h3*1-5H;2*1H;/q;;;;;+2/p-2
Names and Synonyms
- Dichlorotriphenylantimony Synonym
- Antimony, dichlorotriphenyl- Synonym
- Stibine, triphenyl-, dichloride Synonym
- Dichlorotriphenylantimony Synonym
- Dichlorotriphenylstibine Synonym
- Triphenylantimony dichloride Synonym
- Triphenylstibine dichloride Synonym
- Dichlorotriphenylstiborane Synonym
- NSC 179782 Synonym
- NSC 432 Synonym
- Triphenylantimony(V) dichloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 423.98 g/mol | CAS Common Chemistry |
| 423.9840000000001 g/mol | RDKit | |
| 423.984 g/mol | RDKit | |
| 432.042 g/mol | chempirical lib | |
| 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 |
| -1.9124 | RDKit | |
| Molar Refractivity | 81.58800000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 421.95889654 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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20
0 ppm
| 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.
External Resources
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MW = 423.98 g/mol. Edit any field — others recompute live.
