2,6-Difluoro-3-pyridineboronic Acid - CAS 136466-94-9

Catalog:	BB008363
Product Name:	2,6-Difluoro-3-pyridineboronic Acid
CAS:	136466-94-9
Synonyms:	(2,6-difluoro-3-pyridinyl)boronic acid; (2,6-difluoropyridin-3-yl)boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(2,6-difluoropyridin-3-yl)boronic acid
Description:	2,6-Difluoro-3-pyridineboronic Acid (CAS# 136466-94-9) is a useful research chemical.
Molecular Weight:	158.90
Molecular Formula:	C5H4F2NO2B
Canonical SMILES:	B(C1=C(N=C(C=C1)F)F)(O)O
InChI:	InChI=1S/C5H4BF2NO2/c7-4-2-1-3(6(10)11)5(8)9-4/h1-2,10-11H
InChI Key:	LCCZTROJRJFXNV-UHFFFAOYSA-N
Boiling Point:	314.8 °C at 760 mmHg
Density:	1.44 g/cm³
MDL:	MFCD03788245
LogP:	-0.96040

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US-2021280798-A1	Heterocyclic compound, organic light-emitting device including heterocyclic compound, and electronic apparatus including organic light-emitting device	20200224
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WO-2021079121-A1	Benzodiazepine derivatives for treating a respiratory syncytial virus (rsv) infection	20191022

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Related Functional Groups

Boronic Acids and Esters

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[1219956-23-6]
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2-Chloro-4-hydroxyphenylboronic Acid
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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:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	159.0303149
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	159.0303149
Rotatable Bond Count:	1
Topological Polar Surface Area:	53.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0