4-Bromo-3-fluorophenylboronic Acid - CAS 374790-97-3

Catalog:	BB023301
Product Name:	4-Bromo-3-fluorophenylboronic Acid
CAS:	374790-97-3
Synonyms:	(4-bromo-3-fluorophenyl)boronic acid; (4-bromo-3-fluorophenyl)boronic acid

Technical Data

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Computed Properties

IUPAC Name:	(4-bromo-3-fluorophenyl)boronic acid
Description:	4-Bromo-3-fluorophenylboronic Acid (CAS# 374790-97-3) is a useful research chemical.
Molecular Weight:	218.82
Molecular Formula:	C6H5BrFO2B
Canonical SMILES:	B(C1=CC(=C(C=C1)Br)F)(O)O
InChI:	InChI=1S/C6H5BBrFO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,10-11H
InChI Key:	ACLQPRPXJMWADE-UHFFFAOYSA-N
Boiling Point:	314.7 °C at 760 mmHg
Flash Point:	Not applicable
Density:	1.75 g/cm³
Appearance:	Solid
MDL:	MFCD02093066
LogP:	0.26800

Publication Number	Title	Priority Date
CN-111018797-A	Organic compound, electronic element containing the same, and electronic device	20191226
CN-111018797-B	Organic compound, electronic element containing the same, and electronic device	20191226
WO-2021129072-A1	Organic compound, electronic component containing organic compound, and electronic device	20191226
CN-110590770-A	Triazolopyridine-based organic electroluminescent material and organic electroluminescent device	20190822
CN-110590770-B	Triazolopyridine-based organic electroluminescent material and organic electroluminescent device	20190822

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GHS Hazard Statement:	H302 (81.82%): Harmful if swallowed [Warning Acute toxicity, oral]; 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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:	217.955
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	217.955
Rotatable Bond Count:	1
Topological Polar Surface Area:	40.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0