Benzylboronic Acid - CAS 4463-42-7

Catalog:	BB025677
Product Name:	Benzylboronic Acid
CAS:	4463-42-7
Synonyms:	(phenylmethyl)boronic acid; benzylboronic acid

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Computed Properties

IUPAC Name:	benzylboronic acid
Description:	Benzylboronic Acid (CAS# 4463-42-7 ) is a useful research chemical.
Molecular Weight:	135.96
Molecular Formula:	C7H9O2B
Canonical SMILES:	B(CC1=CC=CC=C1)(O)O
InChI:	InChI=1S/C7H9BO2/c9-8(10)6-7-4-2-1-3-5-7/h1-5,9-10H,6H2
InChI Key:	HBWDWGMBZIFBQE-UHFFFAOYSA-N
Boiling Point:	296.5 °C at 760 mmHg
Density:	1.108 g/cm³
Appearance:	White to off-white crystalline solid or crystals
MDL:	MFCD01114673
LogP:	0.50750

Publication Number	Title	Priority Date
WO-2021206305-A1	Compound for organic electronic element, organic electronic element using same, and electronic device therefor	20200408
WO-2021202775-A1	N-(heterocyclyl and heterocyclylalkyl)-3-benzylpyridin-2-amine derivatives as sstr4 agonists	20200331
WO-2021127743-A1	Substituted hydroxystilbene compounds and derivatives synthesis and uses thereof	20191223
CN-110790661-A	Method for converting benzyl borate compounds into phenylacetic acid and derivatives thereof by using carbon dioxide	20191029
KR-20210030522-A	Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof	20190909

PMID	Publication Date	Title	Journal
21644527	20110701	Chemoselective Suzuki coupling of diborylmethane for facile synthesis of benzylboronates	Organic letters
15162213	20040607	Synthesis of [11C]/(13C)amines via carbonylation followed by reductive amination	Organic & biomolecular chemistry

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Related Functional Groups

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[1256355-43-7]
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[766549-26-2]
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[10365-98-7]
3-Methoxybenzeneboronic Acid
[2005430-90-8]
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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:	89.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	136.0695597
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	136.0695597
Rotatable Bond Count:	2
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0