4-Chloro-3,5-difluorophenylboronic Acid - CAS 864759-63-7

Catalog:	BB037950
Product Name:	4-Chloro-3,5-difluorophenylboronic Acid
CAS:	864759-63-7
Synonyms:	(4-chloro-3,5-difluorophenyl)boronic acid; (4-chloro-3,5-difluorophenyl)boronic acid

Technical Data

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Computed Properties

IUPAC Name:	(4-chloro-3,5-difluorophenyl)boronic acid
Description:	4-Chloro-3,5-difluorophenylboronic Acid (CAS# 864759-63-7) is a useful research chemical.
Molecular Weight:	192.36
Molecular Formula:	C6H4ClF2O2B
Canonical SMILES:	B(C1=CC(=C(C(=C1)F)Cl)F)(O)O
InChI:	InChI=1S/C6H4BClF2O2/c8-6-4(9)1-3(7(11)12)2-5(6)10/h1-2,11-12H
InChI Key:	QFZAPMPDGUNQDD-UHFFFAOYSA-N
Boiling Point:	301.197 °C at 760 mmHg
Density:	1.503 g/cm³
LogP:	0.29800

Publication Number	Title	Priority Date
WO-2021106864-A1	Process for the preparation of producing pyrazolo[1,5-a] pyrimidine derivatives	20191125
WO-2021040467-A1	Novel heterocyclic compound and organic light-emitting device using same	20190828
KR-20210027172-A	Novel hetero-cyclic compound and organic light emitting device comprising the same	20190828
WO-2021001538-A1	Novel galactoside inhibitor of galectins	20190703
WO-2020225273-A1	Novel compounds	20190507

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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:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.9960936
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	191.9960936
Rotatable Bond Count:	1
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0