3-Fluoro-2-formylphenylboronic acid - CAS 871126-15-7

Catalog:	BB038264
Product Name:	3-Fluoro-2-formylphenylboronic acid
CAS:	871126-15-7
Synonyms:	(3-fluoro-2-formylphenyl)boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(3-fluoro-2-formylphenyl)boronic acid
Description:	Undergoes unprecedented tautomeric rearrangement in solution.
Molecular Weight:	167.93
Molecular Formula:	C7H6BFO3
Canonical SMILES:	B(C1=C(C(=CC=C1)F)C=O)(O)O
InChI:	InChI=1S/C7H6BFO3/c9-7-3-1-2-6(8(11)12)5(7)4-10/h1-4,11-12H
InChI Key:	GVHWLCYABLWGIR-UHFFFAOYSA-N
Melting Point:	123-127 °C
Flash Point:	Not applicable
Purity:	≥ 95 %
Appearance:	White to tan powder
Storage:	2-8 °C
MDL:	MFCD10697421
LogP:	-0.68200

Publication Number	Title	Priority Date
CN-110437119-B	N-substituted nitrogen heterocyclic derivative and preparation method and application thereof	20190905
EP-3674308-A1	Organometallic compound and organic light-emitting device including the same	20181228
US-2020212319-A1	Organometallic compound and organic light-emitting device including the same	20181228
CN-111377974-A	Organometallic compound and organic light emitting device including the same	20181228
JP-2020059709-A	Organic metal compound and organic light emitting device containing the same	20181008

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Related Functional Groups

Boronic Acids and Esters

[766549-26-2]
2-Chloro-4-hydroxyphenylboronic Acid
[163105-90-6]
2-Methoxy-3-pyridylboronic Acid
[10365-98-7]
3-Methoxybenzeneboronic Acid
[937796-06-0]
4-(3,5-Dimethyl-1-pyrazolyl)phenylboronic Acid Pinacol Ester
[1257724-90-5]
2-(3-Hydroxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
[1029439-85-7]
2,3-Difluoro-4-hydroxyphenylboronic Acid Pinacol Ester

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[17746-05-3]
Undecanoyl chloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	165
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.0394024
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	168.0394024
Rotatable Bond Count:	2
Topological Polar Surface Area:	57.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0