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Tert-Butyldiphenylsilyl Chloride
CAS: 58479-61-1 | C16H19ClSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
58479-61-1
Molecular Formula:
C16H19ClSi
Molecular Mass:
274.87 g/mol
Names and Synonyms:
Tert-Butyldiphenylsilyl Chloride
(1,1-Dimethylethyl)diphenylsilyl chloride
(Chloro)(tert-butyl)diphenylsilane
TBDPSCl
t-Butylchlorodiphenylsilane
TDBPSCl
Benzene, 1,1′-[chloro(1,1-dimethylethyl)silylene]bis-
Silane, chloro(1,1-dimethylethyl)diphenyl-
1,1′-[Chloro(1,1-dimethylethyl)silylene]bis[benzene]
tert-Butylchlorodiphenylsilane
tert-Butyldiphenylchlorosilane
tert-Butyldiphenylsilyl chloride
Diphenyl-tert-butylsilyl chloride
t-Butyldiphenylchlorosilane
Chlorodiphenyl-tert-butylsilane
t-Butyldiphenylchlorosilane
Chloro(1,1-dimethylethyl)diphenylsilane
NSC 617386
Identifiers:
SMILES:
CC(C)(C)[Si](Cl)(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C16H19ClSi/c1-16(2,3)18(17,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,1-3H3
Key Properties
Boiling Point
90 °C @ Press: 0.015 Torr
CAS Common Chemistry
Density
1.07 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 | 274.87 g/mol | CAS Common Chemistry |
| 274.867 g/mol | RDKit | |
| 274.09445481800003 g/mol | RDKit | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.074 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 90 °C @ Press: 0.015 Torr | CAS Common Chemistry |
| Canonical SMILES | Cl[Si](C=1C=CC=CC1)(C=2C=CC=CC2)C(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C16H19ClSi/c1-16(2,3)18(17,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MHYGQXWCZAYSLJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | tert-Butyldiphenylsilyl chloride | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.7852000000000023 | RDKit |
| Molar Refractivity | 83.47400000000005 | RDKit |
