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Diisopropylphosphite
CAS: 1809-20-7 | C6H15O3P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1809-20-7
Molecular Formula:
C6H15O3P
Molecular Mass:
166.16 g/mol
Names and Synonyms:
Diisopropylphosphite
Phosphonic acid, bis(1-methylethyl) ester
Phosphonic acid, diisopropyl ester
Isopropyl phosphonate ((C3H7O)2HPO)
Diisopropyl phosphite
Diisopropyl phosphonate
Diisopropyl hydrogen phosphite
O,O-Diisopropyl phosphonate
Isopropyl phosphite ((C3H7O)2(HO)P)
Bis(2-propyl) phosphite
Diisopropoxyphosphine oxide
NSC 82344
T 451
T 451 (antiwear additive)
2-Propan-2-yloxyphosphonoyloxypropane
Identifiers:
SMILES:
CC(C)O[PH](=O)OC(C)C
InChI:
InChI=1S/C6H15O3P/c1-5(2)8-10(7)9-6(3)4/h5-6,10H,1-4H3
Key Properties
Boiling Point
97 °C @ Press: 40 Torr
CAS Common Chemistry
Density
1.02 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 | 166.16 g/mol | CAS Common Chemistry |
| 166.15699999999998 g/mol | RDKit | |
| 166.07588097 g/mol | RDKit | |
| Density | 1.02 g/cm³ | CAS Common Chemistry |
| 1.020 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diisopropylphosphite | CAS Common Chemistry |
| Boiling Point | 97 °C @ Press: 40 Torr | CAS Common Chemistry |
| Canonical SMILES | O=P(OC(C)C)OC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H15O3P/c1-5(2)8-10(7)9-6(3)4/h5-6,10H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BLKXLEPPVDUHBY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Diisopropyl phosphite | CAS Common Chemistry |
| Diisopropylphosphite | CAS Common Chemistry | |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 2.2260999999999997 | RDKit |
| Molar Refractivity | 41.443500000000014 | RDKit |
