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[4-(Trimethylsilyl)Phenyl]Boronic Acid
CAS: 17865-11-1 | C9H15BO2Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
17865-11-1
Molecular Formula:
C9H15BO2Si
Molecular Mass:
194.12 g/mol
Names and Synonyms:
[4-(Trimethylsilyl)Phenyl]Boronic Acid
Boronic acid, B-[4-(trimethylsilyl)phenyl]-
Benzeneboronic acid, p-(trimethylsilyl)-
Boronic acid, [4-(trimethylsilyl)phenyl]-
B-[4-(Trimethylsilyl)phenyl]boronic acid
4-(Trimethylsilyl)benzeneboronic acid
[4-(Trimethylsilyl)phenyl]boronic acid
p-Trimethylsilylbenzeneboronic acid
p-(Trimethylsilyl)phenylboronic acid
Identifiers:
SMILES:
C[Si](C)(C)c1ccc(B(O)O)cc1
InChI:
InChI=1S/C9H15BO2Si/c1-13(2,3)9-6-4-8(5-7-9)10(11)12/h4-7,11-12H,1-3H3
Key Properties
Melting Point
193-194 °C
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 | 194.12 g/mol | CAS Common Chemistry |
| 194.11499999999998 g/mol | RDKit | |
| 194.09343665 g/mol | RDKit | |
| Canonical SMILES | OB(O)C1=CC=C(C=C1)[Si](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H15BO2Si/c1-13(2,3)9-6-4-8(5-7-9)10(11)12/h4-7,11-12H,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NRPZMSUGPMYBCQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 193-194 °C | CAS Common Chemistry |
| Name | [4-(Trimethylsilyl)phenyl]boronic acid | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | -0.08840000000000015 | RDKit |
| Molar Refractivity | 59.247600000000034 | RDKit |
