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Molecule
Triisopropylphosphine
CAS: 6476-36-4 · C9H21P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 6476-36-4
- Molecular Formula
- C9H21P
- Molecular Mass
- 160.24 g/mol
Identifiers
CAS Registry Number
6476-36-4
SMILES
CC(C)P(C(C)C)C(C)C
InChI Key
IGNTWNVBGLNYDV-UHFFFAOYSA-N
InChI
InChI=1S/C9H21P/c1-7(2)10(8(3)4)9(5)6/h7-9H,1-6H3
Names and Synonyms
- Triisopropylphosphine Synonym
- Phosphine, tris(1-methylethyl)- Synonym
- Phosphine, triisopropyl- Synonym
- Tris(1-methylethyl)phosphine Synonym
- Triisopropylphosphine Synonym
- Tris(isopropyl)phosphine Synonym
- NSC 244304 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 160.24 g/mol | CAS Common Chemistry |
| 160.24099999999999 g/mol | RDKit | |
| 160.241 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Triisopropylphosphine | CAS Common Chemistry |
| Boiling Point | 81 °C | CAS Common Chemistry |
| Canonical SMILES | P(C(C)C)(C(C)C)C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H21P/c1-7(2)10(8(3)4)9(5)6/h7-9H,1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IGNTWNVBGLNYDV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Triisopropylphosphine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.693500000000003 | RDKit |
| 3.6935 | RDKit | |
| Molar Refractivity | 52.32800000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 160.138087302 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 160.24 g/mol. Edit any field — others recompute live.
