4-Chloro-2-fluorophenylboronic Acid - CAS 160591-91-3

Catalog:	BB011647
Product Name:	4-Chloro-2-fluorophenylboronic Acid
CAS:	160591-91-3
Synonyms:	(4-chloro-2-fluorophenyl)boronic acid; (4-chloro-2-fluorophenyl)boronic acid

Technical Data

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Computed Properties

IUPAC Name:	(4-chloro-2-fluorophenyl)boronic acid
Description:	4-Chloro-2-fluorophenylboronic Acid (CAS# 160591-91-3) is a useful research chemical.
Molecular Weight:	174.37
Molecular Formula:	C6H5ClFO2B
Canonical SMILES:	B(C1=C(C=C(C=C1)Cl)F)(O)O
InChI:	InChI=1S/C6H5BClFO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,10-11H
InChI Key:	YBNDRTRLXPEWKQ-UHFFFAOYSA-N
Boiling Point:	289.2 °C at 760 mmHg
Density:	1.41 g/cm³
MDL:	MFCD02684293
LogP:	0.15890

Publication Number	Title	Priority Date
CN-113024512-A	Aromatic heterocyclic compound used as electron transport material and application thereof	20210330
CN-113045553-A	Aza-aromatic compound used as electron transport material and application thereof	20210330
CN-112321521-A	Electron transport material, organic electroluminescent device and display device	20201106
CN-112174918-A	Compound, hole transport material, organic electroluminescent device and display device	20200904
CN-112125892-A	Compound, electron transport material and organic electroluminescent device	20200901

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GHS Hazard Statement:	H302 (11.11%): 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

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