3-Iodophenylboronic Acid

Product Information

Molecular Formula:
C6H6IO2B
Molecular Weight:
247.83
Description
Reactant involved in: Aerobic oxidative coupling with arenes; Coupling with acetals; Synthesis of inhibitors of homoserine transacetylase; Boron-Heck arylation with alkenes; N-arylation; Heck reactions with electrophilic alkenes.
Synonyms
(3-iodophenyl)boronic acid; (3-iodophenyl)boronic acid
IUPAC Name
(3-iodophenyl)boronic acid
Canonical SMILES
B(C1=CC(=CC=C1)I)(O)O
InChI
InChI=1S/C6H6BIO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H
InChI Key
REEUXWXIMNEIIN-UHFFFAOYSA-N
Boiling Point
358.8 °C at 760 mmHg
Melting Point
195-197 °C (lit.)
Flash Point
Not applicable
Purity
≥ 95 %
Density
1.95 g/cm3
LogP
-0.02900

Safety Information

Hazards
H302 - H315 - H319 - H335
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
247.95056 g/mol
Monoisotopic Mass
247.95056 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
110
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
US-2015065482-A1 Alkynyl alcohols and methods of use 2013-08-22
US-2016096850-A9 Alkynyl alcohols and methods of use 2013-08-22
US-2016200739-A1 Alkynyl alcohols and methods of use 2013-08-22
WO-2015025025-A1 Alkynyl alcohols and methods of use 2013-08-22
EP-2949655-A1 Reaction catalyst for cross coupling and method for manufacturing aromatic compound 2013-01-23
EP-2773613-A1 Substituted benzylamine compounds, their use in medicine, and in particular the treatment of hepatitis c virus (hcv) infection 2011-11-01
US-2014288040-A1 Substituted benzylamine compounds, their use in medicine, and in particular the treatment of hepatitis c virus (hcv) infection 2011-11-01
US-2012071503-A1 Positive allosteric modulators of group ii mglurs 2010-03-19
US-8748632-B2 Positive allosteric modulators of group II mGluRs 2010-03-19
US-2012149693-A1 Therapeutic compounds 2009-05-05

Literatures

PMID Publication Date Title Journal
4926 1976-01-01 [Proceedings: The clinical importance and mechanism of changes in gamma-glutamyl transpeptidase in liver diseases] Vutreshni bolesti
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

Related Products

Online Inquiry
  • Verification code
USA
  • International:
  • US & Canada (Toll free):
  • Email:
  • Fax:
UK
  • Email:
Copyright © 2024 BOC Sciences. All rights reserved.
Top
Inquiry Basket