2-Chloro-5-cyanophenylboronic Acid - CAS 936249-33-1

Catalog:	BB040995
Product Name:	2-Chloro-5-cyanophenylboronic Acid
CAS:	936249-33-1
Synonyms:	(2-chloro-5-cyanophenyl)boronic acid; (2-chloro-5-cyanophenyl)boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(2-chloro-5-cyanophenyl)boronic acid
Description:	2-Chloro-5-cyanophenylboronic Acid (CAS# 936249-33-1) is a useful research chemical.
Molecular Weight:	181.38
Molecular Formula:	C7H5ClNO2B
Canonical SMILES:	B(C1=C(C=CC(=C1)C#N)Cl)(O)O
InChI:	InChI=1S/C7H5BClNO2/c9-7-2-1-5(4-10)3-6(7)8(11)12/h1-3,11-12H
InChI Key:	YNZXUVCJPQNYHR-UHFFFAOYSA-N
Boiling Point:	370.8 °C at 760 mmHg
Density:	1.41 g/cm³
Appearance:	Solid
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD06656271
LogP:	-0.10852

Publication Number	Title	Priority Date
CN-112789272-A	Novel compound and organic light emitting device comprising same	20190228
KR-102288990-B1	Novel compound and organic light emitting device comprising the same	20190228
KR-20200105388-A	Novel compound and organic light emitting device comprising the same	20190228
WO-2020175779-A1	Novel compound and organic light emitting device using same	20190228
US-2019322658-A1	Antiproliferation compounds and uses thereof	20180424

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Related Functional Groups

Boronic Acids and Esters

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	203
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	181.0101863
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	181.0101863
Rotatable Bond Count:	1
Topological Polar Surface Area:	64.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0