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Molecule
Triethylstibine
CAS: 617-85-6 · C6H15Sb
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 617-85-6
- Molecular Formula
- C6H15Sb
- Molecular Mass
- 208.95 g/mol
Identifiers
CAS Registry Number
617-85-6
SMILES
[CH2]C.[CH2]C.[CH2]C.[Sb]
InChI Key
KKOFCVMVBJXDFP-UHFFFAOYSA-N
InChI
InChI=1S/3C2H5.Sb/c3*1-2;/h3*1H2,2H3;
Names and Synonyms
- Triethylstibine Synonym
- Stibine, triethyl- Synonym
- Triethylstibine Synonym
- Triethylantimony Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 208.95 g/mol | CAS Common Chemistry |
| 208.946 g/mol | RDKit | |
| 211.97 g/mol | chempirical lib | |
| Density | 1.32 g/cm³ | CAS Common Chemistry |
| 1.322 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 161.4 °C | CAS Common Chemistry |
| Canonical SMILES | [Sb](CC)(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/3C2H5.Sb/c3*1-2;/h3*1H2,2H3; | CAS Common Chemistry |
| InChI Key | InChIKey=KKOFCVMVBJXDFP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -98 °C | CAS Common Chemistry |
| Name | Triethylstibine | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.14037 | RDKit |
| 2.1404 | RDKit | |
| Molar Refractivity | 38.847 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 208.02119118 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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5
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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.
External Resources
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MW = 208.95 g/mol; density = 1.320 g/mL. Edit any field — others recompute live.
