4-(Difluoromethyl)phenylboronic Acid - CAS 946525-43-5

Catalog:	BB041448
Product Name:	4-(Difluoromethyl)phenylboronic Acid
CAS:	946525-43-5
Synonyms:	[4-(difluoromethyl)phenyl]boronic acid; [4-(difluoromethyl)phenyl]boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	[4-(difluoromethyl)phenyl]boronic acid
Description:	4-(Difluoromethyl)phenylboronic Acid (CAS# 946525-43-5) is a useful research chemical.
Molecular Weight:	171.94
Molecular Formula:	C7H7F2O2B
Canonical SMILES:	B(C1=CC=C(C=C1)C(F)F)(O)O
InChI:	InChI=1S/C7H7BF2O2/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,7,11-12H
InChI Key:	BKHBDGFRIWAUKK-UHFFFAOYSA-N
Appearance:	Solid
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD09056705
LogP:	0.30400

Publication Number	Title	Priority Date
CN-111559990-A	Micromolecular oxathiazine derivative and application thereof	20200529
CN-111559990-B	Micromolecular oxathiazine derivative and application thereof	20200529
WO-2021130638-A1	Diacylglycerol kinase modulating compounds	20191224
US-2019308950-A1	Substituted pyridine and pyrimidines and their use as glun2b receptor modulators	20180404
WO-2019193516-A2	Substituted pyridine and pyrimidines and their use as glun2b receptor modulators	20180404

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Related Functional Groups

Boronic Acids and Esters

[380430-53-5]
2-Ethoxycarbonylphenylboronic Acid
[470478-90-1]
4-(4-Boc-piperazino)phenylboronic Acid Pinacol Ester
[850623-36-8]
Potassium (4-Cyanophenyl)trifluoroborate
[1450835-21-8]
(6-Chlorobenzo[b]thiophen-2-yl)boronic acid
[1256358-61-8]
3-[(2-Methoxyethoxy)methyl]phenylboronic Acid
[2247367-07-1]
4,4,4',4',5,5,5',5'-octaethyl-2,2'-bi(1,3,2-dioxaborolane)

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	135
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.0507160
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	172.0507160
Rotatable Bond Count:	2
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0