3-Formylphenylboronic acid - CAS 87199-16-4

Name: 3-Formylphenylboronic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	(3-formylphenyl)boronic acid
Description:	Reagent used: To study the effects of boronic acid on fluoride-selective chemosignaling behavior of merocyanine dye; As exciton-coupled CD probes for epigallocatechin gallateBiological inhibitor of γ-glutamyltranspeptidase. Reactant involved in: Palladium-catalyzed homocoupling; Suzuki coupling reactions.
Molecular Weight:	149.94
Molecular Formula:	C7H7BO3
Canonical SMILES:	B(C1=CC(=CC=C1)C=O)(O)O
InChI:	InChI=1S/C7H7BO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5,10-11H
InChI Key:	HJBGZJMKTOMQRR-UHFFFAOYSA-N
Boiling Point:	354.388 °C at 760 mmHg
Melting Point:	109-113 °C
Flash Point:	Not applicable
Purity:	98 %
Density:	1.244 g/cm³
MDL:	MFCD00161356
LogP:	-0.82110

GHS Hazard Statement:	H314 (82.35%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

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PMID	Publication Date	Title	Journal
21378917	20090901	Metal-free carbon-carbon bond-forming reductive coupling between boronic acids and tosylhydrazones	Nature chemistry
15131387	20040501	3-formylphenylboronic acid	Acta crystallographica. Section C, Crystal structure communications

Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	150.0488242
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	150.0488242
Rotatable Bond Count:	2
Topological Polar Surface Area:	57.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0