3-Furanboronic Acid - CAS 55552-70-0

Catalog:	BB029084
Product Name:	3-Furanboronic Acid
CAS:	55552-70-0
Synonyms:	3-furanylboronic acid; furan-3-ylboronic acid

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Computed Properties

IUPAC Name:	furan-3-ylboronic acid
Description:	3-Furanboronic Acid (CAS# 55552-70-0) is a useful research chemical.
Molecular Weight:	111.89
Molecular Formula:	C4H5O3B
Canonical SMILES:	B(C1=COC=C1)(O)O
InChI:	InChI=1S/C4H5BO3/c6-5(7)4-1-2-8-3-4/h1-3,6-7H
InChI Key:	CYEFKCRAAGLNHW-UHFFFAOYSA-N
Boiling Point:	247.7 ℃ at 760 mmHg
Melting Point:	139-144 ℃ (dec.) (lit.)
Flash Point:	Not applicable
Purity:	≥ 95.0 %
Density:	1.25 g/cm³
Appearance:	White crystalline powder
MDL:	MFCD01319007
LogP:	-1.04060

Publication Number	Title	Priority Date
CN-113429399-A	Pyrene derivative, light emitting device material and light emitting device	20210710
CN-113461666-A	Biphenyl diaryl methyl pyrimidine derivative containing aromatic heterocyclic structure and preparation method thereof	20210506
CN-112851671-A	4-substituted pyrido [2,3-d ] pyrimidine-7-ketone compound and preparation method and application thereof	20210208
CN-112592308-A	Novel organic compound and application thereof in OLED device	20201217
CN-112442023-A	Heterocyclic derivative and organic electroluminescent device thereof	20201130

PMID	Publication Date	Title	Journal
22304527	20120302	Synthesis of 8-aryl-substituted coumarins based on ring-closing metathesis and Suzuki-Miyaura coupling: synthesis of a furyl coumarin natural product from Galipea panamensis	The Journal of organic chemistry

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
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

Complexity:	75.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	112.0331742
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	112.0331742
Rotatable Bond Count:	1
Topological Polar Surface Area:	53.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0