4-Pentylphenylboronic Acid - CAS 121219-12-3

Catalog:	BB005113
Product Name:	4-Pentylphenylboronic Acid
CAS:	121219-12-3
Synonyms:	(4-pentylphenyl)boronic acid; (4-pentylphenyl)boronic acid

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Computed Properties

IUPAC Name:	(4-pentylphenyl)boronic acid
Description:	4-Pentylphenylboronic Acid can be used for aryl coupling (in the presence of palladium) and Cannabinol (C175350) synthesis.
Molecular Weight:	192.06
Molecular Formula:	C11H17O2B
Canonical SMILES:	B(C1=CC=C(C=C1)CCCCC)(O)O
InChI:	InChI=1S/C11H17BO2/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h6-9,13-14H,2-5H2,1H3
InChI Key:	UZRMPSOGFATLJE-UHFFFAOYSA-N
Boiling Point:	328 °C / 760 mmHg
Density:	1.01 g/cm³
Appearance:	White powder
Storage:	Keep in dark place. Sealed in dry. Room temperature.
MDL:	MFCD00995151
LogP:	1.09910

Publication Number	Title	Priority Date
CN-113181138-A	Active oxygen responsive crocin nano-particles and preparation method and application thereof	20210427
CN-113088007-A	Push rod piston leather cup for automobile ABS and preparation method thereof	20210302
CN-113493694-A	Compound, liquid crystal composition and liquid crystal display element	20200401
WO-2021123394-A1	G protein-coupled receptor modulators and a pharmaceutical composition	20191220
CN-110699091-A	Liquid crystal composition with high dielectric constant and low consumption and application thereof	20191031

PMID	Publication Date	Title	Journal
22225633	20120201	Design and synthesis of boronic acid inhibitors of endothelial lipase	Bioorganic & medicinal chemistry letters

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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:	142
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.1321599
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	192.1321599
Rotatable Bond Count:	5
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0