2-Chloro-4-fluorophenylboronic acid - CAS 313545-72-1

Name: 2-Chloro-4-fluorophenylboronic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB020893
Product Name:	2-Chloro-4-fluorophenylboronic acid
CAS:	313545-72-1
Synonyms:	(2-chloro-4-fluorophenyl)boronic acid; (2-chloro-4-fluorophenyl)boronic acid

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Computed Properties

IUPAC Name:	(2-chloro-4-fluorophenyl)boronic acid
Description:	2-Chloro-4-fluorophenylboronic acid (CAS# 313545-72-1) is a useful research chemical.
Molecular Weight:	174.37
Molecular Formula:	C6H5BClFO2
Canonical SMILES:	B(C1=C(C=C(C=C1)F)Cl)(O)O
InChI:	InChI=1S/C6H5BClFO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3,10-11H
InChI Key:	XOFNMNLYGPKKOV-UHFFFAOYSA-N
Boiling Point:	290.9 °C at 760 mmHg
Melting Point:	220-223 °C
Flash Point:	Not applicable
Purity:	98 %
Density:	1.41 g/cm³
Appearance:	White crystalline powder
MDL:	MFCD02684295
LogP:	0.15890

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Related Functional Groups

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GHS Hazard Statement:	H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021190615-A1	Compounds as casein kinase inhibitors	20200327
WO-2021163519-A1	Substituted 5,6-diphenyl-3(2h)-pyridazinones for use as fungicides	20200214
US-2021094971-A1	Heterocyclic compounds	20190909
WO-2021048036-A1	4,4a,5,7,8,8a-hexapyrido[4,3-b][1,4]oxazin-3-one compounds as magl inhibitors	20190909
WO-2021023813-A1	5-heteroaryl-pyridin-2-amine confounds as neuropeptide ff receptor antagonists	20190806

Complexity:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	174.0055154
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	174.0055154
Rotatable Bond Count:	1
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0