1,3-Benzenediboronic Acid - CAS 4612-28-6

Catalog:	BB026076
Product Name:	1,3-Benzenediboronic Acid
CAS:	4612-28-6
Synonyms:	(3-boronophenyl)boronic acid; (3-boronophenyl)boronic acid

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Computed Properties

IUPAC Name:	(3-boronophenyl)boronic acid
Description:	1,3-Benzenediboronic Acid (CAS# 4612-28-6) is a useful research chemical.
Molecular Weight:	165.75
Molecular Formula:	C6H8O4B2
Canonical SMILES:	B(C1=CC(=CC=C1)B(O)O)(O)O
InChI:	InChI=1S/C6H8B2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,9-12H
InChI Key:	UXPAASVRXBULRG-UHFFFAOYSA-N
Boiling Point:	456.4 °C at 760 mmHg
Density:	1.33 g/cm³
MDL:	MFCD03092915
LogP:	-2.95380

Publication Number	Title	Priority Date
CN-113036144-A	High-stability zinc-iodine battery positive electrode composite material and preparation method and application thereof	20210310
CN-113036145-A	High-stability zinc-iodine battery and preparation method and application of electrode material	20210310
CN-112831004-A	Preparation method of surface polarity/charge adjustable on/off type magnetic polymer brush adsorbent	20210105
CN-112358631-A	Dynamic covalent crosslinking material for enhancing polyethylene performance and preparation method and application thereof	20201015
CN-112310329-A	Organic electroluminescent device and polycyclic compound for organic electroluminescent device	20190730

PMID	Publication Date	Title	Journal
12693246	20030127	A guest-induced assembly of a molecular box from methylcobaloxime and 1, 4-phenylenebisboronic acid	Inorganic chemistry

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GHS Hazard Statement:	H302 (97.67%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	128
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.0608691
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	0
Monoisotopic Mass:	166.0608691
Rotatable Bond Count:	2
Topological Polar Surface Area:	80.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0