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Di-Tert-Butylchlorophosphine
CAS: 13716-10-4 | C8H18ClP
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13716-10-4
Molecular Formula:
C8H18ClP
Molecular Mass:
180.66 g/mol
Names and Synonyms:
Di-Tert-Butylchlorophosphine
Phosphinous chloride, P,P-bis(1,1-dimethylethyl)-
Phosphinous chloride, di-tert-butyl-
Phosphinous chloride, bis(1,1-dimethylethyl)-
P,P-Bis(1,1-dimethylethyl)phosphinous chloride
Di-tert-Butylphosphinous chloride
Di-tert-butylchlorophosphine
Chlorodi-tert-butylphosphine
Bis(1,1-dimethylethyl)phosphinous chloride
Bis(tert-butyl)phosphinous chloride
Bis(tert-butyl)chlorophosphine
Identifiers:
SMILES:
CC(C)(C)P(Cl)C(C)(C)C
InChI:
InChI=1S/C8H18ClP/c1-7(2,3)10(9)8(4,5)6/h1-6H3
Key Properties
Boiling Point
69-70 °C @ Press: 10 Torr
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 | 180.66 g/mol | CAS Common Chemistry |
| 180.659 g/mol | RDKit | |
| 180.083464886 g/mol | RDKit | |
| Boiling Point | 69-70 °C @ Press: 10 Torr | CAS Common Chemistry |
| Canonical SMILES | ClP(C(C)(C)C)C(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H18ClP/c1-7(2,3)10(9)8(4,5)6/h1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MCRSZLVSRGTMIH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Di-tert-butylchlorophosphine | CAS Common Chemistry |
| Heavy Atom Count | 10 | 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 | 4.219100000000004 | RDKit |
| Molar Refractivity | 52.27900000000004 | RDKit |
