Banner
Structure

2-(Trifluoromethyl)phenylboronic acid

CAS
1423-27-4
Catalog Number
ACM1423274
Category
Boronic Acids
Molecular Weight
189.93g/mol
Molecular Formula
C7H6BF3O2

If you have any other questions or need other size, please get a quote.

  • Product Description
  • Case Study
  • Custom Reviews
  • Custom Q&A
  • Synthetic Use
  • Related Resources

Specification

IUPAC Name
[2-(trifluoromethyl)phenyl]boronic acid
Canonical SMILES
B(C1=CC=CC=C1C(F)(F)F)(O)O
InChI
InChI=1S/C7H6BF3O2/c9-7(10,11)5-3-1-2-4-6(5)8(12)13/h1-4,12-13H
InChI Key
JNSBEPKGFVENFS-UHFFFAOYSA-N
Complexity
172
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
What is the molecular formula of 2-(Trifluoromethyl)phenylboronic acid?

The molecular formula of 2-(Trifluoromethyl)phenylboronic acid is C7H6BF3O2.

What is the molecular weight of 2-(Trifluoromethyl)phenylboronic acid?

The molecular weight of 2-(Trifluoromethyl)phenylboronic acid is 189.93 g/mol.

What is the IUPAC name of 2-(Trifluoromethyl)phenylboronic acid?

The IUPAC name of 2-(Trifluoromethyl)phenylboronic acid is [2-(trifluoromethyl)phenyl]boronic acid.

What is the InChI of 2-(Trifluoromethyl)phenylboronic acid?

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

What is the InChIKey of 2-(Trifluoromethyl)phenylboronic acid?

The InChIKey of 2-(Trifluoromethyl)phenylboronic acid is JNSBEPKGFVENFS-UHFFFAOYSA-N.

What is the canonical SMILES of 2-(Trifluoromethyl)phenylboronic acid?

The canonical SMILES of 2-(Trifluoromethyl)phenylboronic acid is B(C1=CC=CC=C1C(F)(F)F)(O)O.

What is the CAS number of 2-(Trifluoromethyl)phenylboronic acid?

The CAS number of 2-(Trifluoromethyl)phenylboronic acid is 1423-27-4.

What is the European Community (EC) number of 2-(Trifluoromethyl)phenylboronic acid?

The European Community (EC) number of 2-(Trifluoromethyl)phenylboronic acid is 640-203-7.

What is the ChEMBL ID of 2-(Trifluoromethyl)phenylboronic acid?

The ChEMBL ID of 2-(Trifluoromethyl)phenylboronic acid is CHEMBL349181.

Is 2-(Trifluoromethyl)phenylboronic acid a canonicalized compound?

Yes, 2-(Trifluoromethyl)phenylboronic acid is a canonicalized compound.

Upstream Synthesis Route 1

  • 6562-41-0
  • 7732-18-5
  • 88-16-4
  • 1423-27-4

Reference: [1] Patent: CN104311587, 2017, B, . Location in patent: Paragraph 0068; 0069; 0070

Upstream Synthesis Route 2

  • 121-43-7
  • 392-83-6
  • 1423-27-4

Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2017, vol. 27, # 9, p. 1919 - 1922

Downstream Synthesis Route 1

  • 13162-43-1
  • 1423-27-4
  • 199728-08-0

Reference: [1]Bioorganic and Medicinal Chemistry Letters,1999,vol. 9,p. 1063 - 1066

Downstream Synthesis Route 2

  • 955124-75-1
  • 1423-27-4
  • 955124-76-2

Reference: [1]Patent: WO2007/123941,2007,A2 .Location in patent: Page/Page column 77

Downstream Synthesis Route 3

  • 1423-27-4
  • 135364-97-5
  • 727-99-1

Reference: [1] Organic Letters, 2017, vol. 19, # 24, p. 6510 - 6513

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

Alfa Chemistry

For product inquiries, please use our online system or send an email to .

Alfa Chemistry
Inquiry Basket
qrcodex
Download
Verification code
* I hereby give my consent that I may receive marketing e-mails with information on existing and new services from this company. I know that I can opt-out from receiving such e-mails at any time or by using the link which will be provided in each marketing e-mail.