3-Bromo-4-fluorophenylboronic Acid - CAS 1092533-91-9

Catalog:	BB002418
Product Name:	3-Bromo-4-fluorophenylboronic Acid
CAS:	1092533-91-9
Synonyms:	(3-bromo-4-fluorophenyl)boronic acid; (3-bromo-4-fluorophenyl)boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(3-bromo-4-fluorophenyl)boronic acid
Description:	3-Bromo-4-fluorophenylboronic Acid (CAS# 1092533-91-9) is a useful research chemical.
Molecular Weight:	218.82
Molecular Formula:	C6H5BrFO2B
Canonical SMILES:	B(C1=CC(=C(C=C1)F)Br)(O)O
InChI:	InChI=1S/C6H5BBrFO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,10-11H
InChI Key:	BSJYNLUOXHQGCQ-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
LogP:	0.26800

Publication Number	Title	Priority Date
CN-110590770-A	Triazolopyridine-based organic electroluminescent material and organic electroluminescent device	20190822
CN-110590770-B	Triazolopyridine-based organic electroluminescent material and organic electroluminescent device	20190822
WO-2020249785-A1	Substituted heteroaromatic pyrazolo-pyridines and their use as glun2b receptor modulators	20190614
US-2021017169-A1	Substituted heteroaromatic pyrazolo-pyridines and their use as glun2b receptor modulators	20190614
EP-3191445-A1	Cyclobutane containing carboxylic acid gpr120 modulators	20140909

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Related Functional Groups

Boronic Acids and Esters

[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[1219956-23-6]
2,4-Diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
[163105-90-6]
2-Methoxy-3-pyridylboronic Acid
[937796-06-0]
4-(3,5-Dimethyl-1-pyrazolyl)phenylboronic Acid Pinacol Ester
[850623-36-8]
Potassium (4-Cyanophenyl)trifluoroborate
[1450835-21-8]
(6-Chlorobenzo[b]thiophen-2-yl)boronic acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	217.955
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	217.955
Rotatable Bond Count:	1
Topological Polar Surface Area:	40.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0