3-Methoxy-5-trifluoromethylphenylboronic acid

• CAS: 871332-97-7
• Catalog Number: ACM871332977
• Category: Boronic Acids
• Molecular Weight: 219.95
• Molecular Formula: C₈H₈BF₃O₃
• Synonyms: 3-METHOXY-5-(TRIFLUOROMETHYL)PHENYLBORONIC ACID;3-METHOXY-5-(TRIFLUOROMETHYL)BENZENEBORONIC ACID;3-Methoxy-5-(trifluoromethyl)benzeneboronic acid 98%;3-Methoxy-5-(trifluoromethyl)benzeneboronicacid98%;5-Methoxy-3-trifluoromethylbenzeneboronic acid
• IUPAC Name: [3-methoxy-5-(trifluoromethyl)phenyl]boronic acid
• Canonical SMILES: B(C1=CC(=CC(=C1)OC)C(F)(F)F)(O)O
• InChI Key: GKEMDZIGTOAZRK-UHFFFAOYSA-N
• Boiling Point: 318.3ºC at 760 mmHg
• Melting Point: 159-162ºC
• Flash Point: 146.3ºC
• Density: 1.36g/cm³
• Exact Mass: 220.05200
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 6
• H-Bond Donor: 2

Custom Q&A

What is the molecular formula of 3-Methoxy-5-trifluoromethylphenylboronic acid?

The molecular formula is C8H8BF3O3.

What is the molecular weight of 3-Methoxy-5-trifluoromethylphenylboronic acid?

The molecular weight is 219.96 g/mol.

What is the IUPAC name of 3-Methoxy-5-trifluoromethylphenylboronic acid?

The IUPAC name is [3-methoxy-5-(trifluoromethyl)phenyl]boronic acid.

What is the InChI of 3-Methoxy-5-trifluoromethylphenylboronic acid?

The InChI is InChI=1S/C8H8BF3O3/c1-15-7-3-5(8(10,11)12)2-6(4-7)9(13)14/h2-4,13-14H,1H3.

What is the InChIKey of 3-Methoxy-5-trifluoromethylphenylboronic acid?

The InChIKey is GKEMDZIGTOAZRK-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Methoxy-5-trifluoromethylphenylboronic acid?

The canonical SMILES is B(C1=CC(=CC(=C1)OC)C(F)(F)F)(O)O.

What is the CAS number of 3-Methoxy-5-trifluoromethylphenylboronic acid?

The CAS number is 871332-97-7.

What is the European Community (EC) number of 3-Methoxy-5-trifluoromethylphenylboronic acid?

The EC number is 695-679-9.

What is the DSSTox Substance ID of 3-Methoxy-5-trifluoromethylphenylboronic acid?

The DSSTox Substance ID is DTXSID50660239.

Is 3-Methoxy-5-trifluoromethylphenylboronic acid considered a canonicalized compound?

Yes, it is considered a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 479411-93-3

• 871332-97-7

Reference: [1] Organic Letters, 2007, vol. 9, # 5, p. 757 - 760
[2] Organic Letters, 2007, vol. 9, # 5, p. 761 - 764

Upstream Synthesis Route 2

• 454-90-0

• 871332-97-7

Reference: [1] Organic Letters, 2007, vol. 9, # 5, p. 757 - 760
[2] Organic Letters, 2007, vol. 9, # 5, p. 761 - 764

Upstream Synthesis Route 3

• 479411-93-3

• 871332-97-7

Reference: [1]Organic Letters,2007,vol. 9,p. 757 - 760
[2]Organic Letters,2007,vol. 9,p. 761 - 764