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
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 |
