4-Chloro-3-fluorophenylboronic acid

Product Information

Molecular Formula:
C6H5BClFO2
Molecular Weight:
174.37
Description
4-Chloro-3-fluorophenylboronic acid (CAS# 137504-86-0) is a useful synthetic compound.
Synonyms
(4-chloro-3-fluorophenyl)boronic acid; (4-chloro-3-fluorophenyl)boronic acid
IUPAC Name
(4-chloro-3-fluorophenyl)boronic acid
Canonical SMILES
B(C1=CC(=C(C=C1)Cl)F)(O)O
InChI
InChI=1S/C6H5BClFO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,10-11H
InChI Key
CMJQIHGBUKZEHP-UHFFFAOYSA-N
Boiling Point
302.6 °C at 760 mmHg
Flash Point
Not applicable
Purity
97 %
Density
1.41 g/cm3
Storage
Keep in dark place, Sealed in dry, Room Temperature
LogP
0.15890

Safety Information

Hazards
H315 - H318 - H335
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
174.0055154 g/mol
Monoisotopic Mass
174.0055154 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
136
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
CN-111559990-A Micromolecular oxathiazine derivative and application thereof 2020-05-29
CN-111559990-B Micromolecular oxathiazine derivative and application thereof 2020-05-29
WO-2021238587-A1 Micromolecular oxathiazine derivative and use thereof 2020-05-29
WO-2021203025-A1 1 h-pyrazolo[4,3-g]isoquinoline and 1 h-pyrazolo[4,3-g]quinoline derivatives as alpha-1 -antitrypsin modulators for treating alpha-1 -antitrypsin deficiency (aatd) 2020-04-03
WO-2021194326-A1 Aminopyrimidine derivatives and their use as aryl hydrocarbon receptor modulators 2020-03-27
CN-111253210-A Preparation method of 4 '-alkyl-2, 4,3' -trifluoro-terphenyl liquid crystal monomer 2020-03-05
WO-2021173523-A1 Hot melt extruded solid dispersions containing a bcl2 inhibitor 2020-02-24
WO-2021130732-A1 Antibacterial quinolines 2019-12-27
US-2021171455-A1 Alpha-5 beta-1 inhibitors 2019-12-10
WO-2021119199-A1 Alpha-5 beta-1 inhibitors 2019-12-10
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: 1-631-504-6093
  • US & Canada (Toll free): 1-844-BOC(262)-0123
  • 45-16 Ramsey Road, Shirley, NY 11967, USA
  • Email: info@bocsci.com
  • Fax: 1-631-614-7828
UK
  • 44-20-3980-8385
  • 85 Great Portland Street, London, W1W 7LT
  • Email: info@bocsci.com
Copyright © 2025 BOC Sciences. All rights reserved.
Top
0
Inquiry Basket

We use cookies to understand how you use our site and to improve the overall user experience. This includes personalizing content and advertising. Read our Privacy Policy

Accept Cookies
x