3-(Trimethylsilyl)phenylboronic acid

• CAS: 177171-16-3
• Catalog Number: ACM177171163
• Category: Boronic Acids
• Molecular Weight: 194.11g/mol
• Molecular Formula: C9H15BO2Si
• IUPAC Name: (3-trimethylsilylphenyl)boronic acid
• Canonical SMILES: B(C1=CC(=CC=C1)[Si](C)(C)C)(O)O
• InChI: InChI=1S/C9H15BO2Si/c1-13(2,3)9-6-4-5-8(7-9)10(11)12/h4-7,11-12H,1-3H3
• InChI Key: REMKRZLFPLDTKR-UHFFFAOYSA-N
• Complexity: 168
• Covalently-Bonded Unit Count: 1
• Exact Mass: 194.093436g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 13
• Monoisotopic Mass: 194.093436g/mol
• Rotatable Bond Count: 2

Custom Q&A

What is the molecular formula of 3-(Trimethylsilyl)phenylboronic acid?

The molecular formula is C9H15BO2Si.

What is the molecular weight of 3-(Trimethylsilyl)phenylboronic acid?

The molecular weight is 194.11 g/mol.

What is the IUPAC name of 3-(Trimethylsilyl)phenylboronic acid?

The IUPAC name is (3-trimethylsilylphenyl)boronic acid.

What is the InChI of 3-(Trimethylsilyl)phenylboronic acid?

The InChI is InChI=1S/C9H15BO2Si/c1-13(2,3)9-6-4-5-8(7-9)10(11)12/h4-7,11-12H,1-3H3.

What is the InChIKey of 3-(Trimethylsilyl)phenylboronic acid?

The InChIKey is REMKRZLFPLDTKR-UHFFFAOYSA-N.

What is the canonical SMILES of 3-(Trimethylsilyl)phenylboronic acid?

The canonical SMILES is B(C1=CC(=CC=C1)[Si](C)(C)C)(O)O.

What is the CAS number of 3-(Trimethylsilyl)phenylboronic acid?

The CAS number is 177171-16-3.

What is the European Community (EC) Number of 3-(Trimethylsilyl)phenylboronic acid?

The European Community (EC) Number is 804-982-9.

What is the DSSTox Substance ID of 3-(Trimethylsilyl)phenylboronic acid?

The DSSTox Substance ID is DTXSID30404456.

Is 3-(Trimethylsilyl)phenylboronic acid a canonicalized compound?

Yes, it is a canonicalized compound according to PubChem.

Synthetic Use

Upstream Synthesis Route 1

• 121-43-7
• 17878-47-6
• 594-19-4

• 177171-16-3

Reference: [1] Patent: US2008/211391, 2008, A1,

Upstream Synthesis Route 2

• 108-36-1

• 177171-16-3

Reference: [1] Molecular Crystals and Liquid Crystals, 2006, vol. 444, p. 95 - 101

Upstream Synthesis Route 3

• 97-94-9
• 17878-47-6

• 177171-16-3

Reference: [1] Molecular Crystals and Liquid Crystals, 2006, vol. 444, p. 95 - 101

Downstream Synthesis Route 1

• 583-55-1
• 177171-16-3

• 187275-75-8

Reference: [1]Angewandte Chemie - International Edition,2004,vol. 43,p. 5331 - 5335
[2]Liebigs Annales,1997,p. 303 - 309

* For details of the synthesis route, please refer to the original source to ensure accuracy.