4-(Trifluoromethyl)phenylboronic acid

• CAS: 128796-39-4
• Catalog Number: ACM128796394
• Category: Boronic Acids
• Molecular Weight: 189.93g/mol
• Molecular Formula: C7H6BF3O2
• Synonyms: P-(TRIFLUOROMETHYL)PHENYLBORONIC ACID;RARECHEM AH PB 0095;4-(TRIFLUOROMETHYL)PHENYLBORONIC ACID;4-(TRIFLUOROMETHYL)BENZENEBORONIC ACID;ALPHA,ALPHA,ALPHA-TRIFLUORO-P-TOLUENEBORONIC ACID;ALPHA,ALPHA,ALPHA-TRIFLUORO-P-TOLYLBORONIC ACID;AKOS BRN-0049;α,α,α-Tr
• IUPAC Name: [4-(trifluoromethyl)phenyl]boronic acid
• SMILES: B(C1=CC=C(C=C1)C(F)(F)F)(O)O
• InChI: InChI=1S/C7H6BF3O2/c9-7(10,11)5-1-3-6(4-2-5)8(12)13/h1-4,12-13H
• InChI Key: ALMFIOZYDASRRC-UHFFFAOYSA-N
• Complexity: 164
• Covalently-Bonded Unit Count: 1
• Exact Mass: 190.041294g/mol
• Formal Charge: 0
• H-Bond Acceptor: 5
• H-Bond Donor: 2
• Heavy Atom Count: 13
• Monoisotopic Mass: 190.041294g/mol
• Rotatable Bond Count: 1

Custom Q&A

What is the molecular formula of 4-(Trifluoromethyl)phenylboronic acid?

The molecular formula of 4-(Trifluoromethyl)phenylboronic acid is C7H6BF3O2.

What is the molecular weight of 4-(Trifluoromethyl)phenylboronic acid?

The molecular weight of 4-(Trifluoromethyl)phenylboronic acid is 189.93 g/mol.

What is the IUPAC name of 4-(Trifluoromethyl)phenylboronic acid?

The IUPAC name of 4-(Trifluoromethyl)phenylboronic acid is [4-(trifluoromethyl)phenyl]boronic acid.

What is the InChI of 4-(Trifluoromethyl)phenylboronic acid?

The InChI of 4-(Trifluoromethyl)phenylboronic acid is InChI=1S/C7H6BF3O2/c9-7(10,11)5-1-3-6(4-2-5)8(12)13/h1-4,12-13H.

What is the InChIKey of 4-(Trifluoromethyl)phenylboronic acid?

The InChIKey of 4-(Trifluoromethyl)phenylboronic acid is ALMFIOZYDASRRC-UHFFFAOYSA-N.

What is the canonical SMILES of 4-(Trifluoromethyl)phenylboronic acid?

The canonical SMILES of 4-(Trifluoromethyl)phenylboronic acid is B(C1=CC=C(C=C1)C(F)(F)F)(O)O.

What is the CAS number of 4-(Trifluoromethyl)phenylboronic acid?

The CAS number of 4-(Trifluoromethyl)phenylboronic acid is 128796-39-4.

What is the ChEMBL ID of 4-(Trifluoromethyl)phenylboronic acid?

The ChEMBL ID of 4-(Trifluoromethyl)phenylboronic acid is CHEMBL143654.

Is 4-(Trifluoromethyl)phenylboronic acid a canonicalized compound?

Yes, 4-(Trifluoromethyl)phenylboronic acid is a canonicalized compound according to PubChem.

Synthetic Use

Downstream Synthesis Route 1

• 128796-39-4
• 131001-86-0

• 256397-60-1

Reference: [1]Organic Process Research and Development,2015,vol. 19,p. 244 - 248

Downstream Synthesis Route 2

• 3132-99-8
• 128796-39-4

• 343604-24-0

Reference: [1]Patent: WO2005/118542,2005,A1 .Location in patent: Page/Page column 45-46

Downstream Synthesis Route 3

• 128796-39-4
• 107-14-2

• 2338-75-2

Reference: [1] Organic Letters, 2015, vol. 17, # 1, p. 50 - 53

Downstream Synthesis Route 4

• 128796-39-4
• 6011-14-9

• 2338-75-2

Reference: [1] Angewandte Chemie - International Edition, 2014, vol. 53, # 39, p. 10510 - 10514[2] Angew. Chem., 2014, vol. 126, # 39, p. 10678 - 10682,5

Downstream Synthesis Route 5

• 128796-39-4

• 2991-42-6

Reference: [1] Journal of the American Chemical Society, 2013, vol. 135, # 29, p. 10638 - 10641

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