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Triisopropyl Phosphite
CAS: 116-17-6 | C9H21O3P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
116-17-6
Molecular Formula:
C9H21O3P
Molecular Mass:
208.24 g/mol
Names and Synonyms:
Triisopropyl Phosphite
Phosphorous acid, tris(1-methylethyl) ester
Phosphorous acid, triisopropyl ester
Isopropyl phosphite ((C3H7O)3P)
Triisopropyl phosphite
Triisopropoxyphosphine
Isopropyl phosphite
Tri-2-propyl phosphite
NSC 6516
Tris(isopropyl) phosphite
Identifiers:
SMILES:
CC(C)OP(OC(C)C)OC(C)C
InChI:
InChI=1S/C9H21O3P/c1-7(2)10-13(11-8(3)4)12-9(5)6/h7-9H,1-6H3
Key Properties
Boiling Point
87-88 °C @ Press: 0.5 Torr
CAS Common Chemistry
Density
0.91 g/cm³
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 | 208.24 g/mol | CAS Common Chemistry |
| 208.23799999999997 g/mol | RDKit | |
| 208.122831162 g/mol | RDKit | |
| Density | 0.91 g/cm³ | CAS Common Chemistry |
| 0.914 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 87-88 °C @ Press: 0.5 Torr | CAS Common Chemistry |
| Canonical SMILES | O(P(OC(C)C)OC(C)C)C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H21O3P/c1-7(2)10-13(11-8(3)4)12-9(5)6/h7-9H,1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SJHCUXCOGGKFAI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Triisopropyl phosphite | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 3.4883000000000024 | RDKit |
| Molar Refractivity | 55.58300000000005 | RDKit |
