4-(Octyloxy)phenylboronic Acid - CAS 121554-09-4

Catalog:	BB005204
Product Name:	4-(Octyloxy)phenylboronic Acid
CAS:	121554-09-4
Synonyms:	(4-octoxyphenyl)boronic acid; (4-octoxyphenyl)boronic acid

Technical Data

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Computed Properties

IUPAC Name:	(4-octoxyphenyl)boronic acid
Description:	4-(Octyloxy)phenylboronic Acid (CAS# 121554-09-4) is a useful research chemical.
Molecular Weight:	250.14
Molecular Formula:	C14H23O3B
Canonical SMILES:	B(C1=CC=C(C=C1)OCCCCCCCC)(O)O
InChI:	InChI=1S/C14H23BO3/c1-2-3-4-5-6-7-12-18-14-10-8-13(9-11-14)15(16)17/h8-11,16-17H,2-7,12H2,1H3
InChI Key:	WABZSVITXOJJKH-UHFFFAOYSA-N
Boiling Point:	395.2 °C at 760 mmHg
Density:	1.02 g/cm³
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD00982004
LogP:	2.10570

Publication Number	Title	Priority Date
WO-2020245297-A1	Pyrrole derivatives as acc inhibitors	20190606
TW-202006118-A	Liquid crystal compound, ion conductor, electrolyte membrane and secondary battery	20180518
WO-2019221267-A1	Liquid crystalline compound, ionic conductor, electrolytic film, and secondary battery	20180518
JP-WO2019221267-A1	Liquid crystal compounds, ionic conductors, electrolyte films and secondary batteries	20180518
CN-110573490-A	Polymerizable compound and liquid crystal composition	20170612

PMID	Publication Date	Title	Journal
22704378	20120706	Organoboron compounds as Lewis acid receptors of fluoride ions in polymeric membranes	Analytica chimica acta
17297238	20070201	Enhancing effect of phenylboronic acid compounds and their interactions with the diol groups of saccharides in a capillary electrophoresis-chemiluminescence detection system	Analytical sciences : the international journal of the Japan Society for Analytical Chemistry

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Related Functional Groups

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	192
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	250.1740248
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	250.1740248
Rotatable Bond Count:	9
Topological Polar Surface Area:	49.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0