4'-Chloro-4-biphenylboronic Acid - CAS 364044-44-0

Catalog:	BB022958
Product Name:	4'-Chloro-4-biphenylboronic Acid
CAS:	364044-44-0
Synonyms:	[4-(4-chlorophenyl)phenyl]boronic acid; [4-(4-chlorophenyl)phenyl]boronic acid

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Computed Properties

IUPAC Name:	[4-(4-chlorophenyl)phenyl]boronic acid
Description:	4'-Chloro-4-biphenylboronic Acid (CAS# 364044-44-0) is a useful research chemical.
Molecular Weight:	232.47
Molecular Formula:	C12H10ClO2B
Canonical SMILES:	B(C1=CC=C(C=C1)C2=CC=C(C=C2)Cl)(O)O
InChI:	InChI=1S/C12H10BClO2/c14-12-7-3-10(4-8-12)9-1-5-11(6-2-9)13(15)16/h1-8,15-16H
InChI Key:	FVKZNRXWZCBUPY-UHFFFAOYSA-N
Boiling Point:	410.977 °C at 760 mmHg
Density:	1.304 g/cm³
MDL:	MFCD08544389
LogP:	1.68680

Publication Number	Title	Priority Date
CN-112961147-A	Nitrogen-containing compound and organic electroluminescent device thereof	20210209
CN-112442023-A	Heterocyclic derivative and organic electroluminescent device thereof	20201130
CN-112442023-B	Heterocyclic derivative and organic electroluminescent device thereof	20201130
KR-20210097470-A	Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof	20200130
KR-20210081967-A	Organic compounds and organic electro luminescence device comprising the same	20191224

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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:	209
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	232.0462374
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	232.0462374
Rotatable Bond Count:	2
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0